DELTA-TRIDECANOLACTONE(7370-92-5) 13C NMR
Product NameDELTA-TRIDECANOLACTONE
CAS7370-92-5
Molecular FormulaC13H24O2
Molecular Weight212.33
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(14)15-12/h12H,2-11H2,1H3
InChIKey RZZLMGATMUAJPX-UHFFFAOYSA-N
SmilesC1(=O)OC(CCCCCCCC)CCC1
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MassMS-IW-3655 5-tridecanolide C13H24O2 (Mass of molecular ion: 212)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 6.2 28.0 1.1 29.0 8.2 39.0 4.7 40.0 1.0 41.0 21.3 42.0 18.3 43.0 21.4 44.0 1.3 53.0 1.7 54.0 3.3 55.0 27.4 56.0 12.7 57.0 9.9 58.0 1.5 60.0 1.9 67.0 4.5 68.0 6.8 69.0 15.5 70.0 29.1 71.0 28.2 72.0 1.6 73.0 2.9 81.0 4.3 82.0 4.2 83.0 8.5 84.0 6.9 85.0 1.6 86.0 3.0 87.0 1.2 95.0 3.0 96.0 5.9 97.0 8.2 98.0 8.2 99.0 100.0 100.0 9.6 101.0 2.1 109.0 1.6 110.0 4.0 111.0 3.6 112.0 1.8 113.0 2.0 114.0 13.2 115.0 2.8 123.0 1.9 124.0 1.9 125.0 1.8 127.0 1.4 134.0 1.8 137.0 1.7 138.0 1.0 141.0 3.1 142.0 1.4 150.0 4.9 151.0 1.9 152.0 3.1 176.0 1.8 194.0 3.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H24 O2 0.05 ml : 0.5 ml CDCl3 5-tridecanolide 
Assign. Shift(ppm)
A 4.282 B 2.580 C 2.450 D 1.91 E 1.85 F *1 1.69 G *1 1.57 J *2 1.51 K *2 1.38 L 1.27 M 0.880
Hz ppm Int.1721.80 4.309 52 1719.60 4.303 54 1717.16 4.297 85 1713.87 4.289 77 1712.04 4.284 71 1710.82 4.281 80 1709.11 4.277 84 1706.42 4.270 79 1703.61 4.263 54 1701.42 4.258 52 1042.11 2.608 75 1035.64 2.592 54 1031.62 2.582 83 1030.40 2.579 66 1026.61 2.569 83 1024.41 2.564 109 1023.32 2.561 101 1019.65 2.552 53 1018.07 2.548 76 992.31 2.483 111 985.23 2.466 113 983.64 2.462 143 976.56 2.444 101 974.73 2.439 75 967.65 2.422 55 965.94 2.417 87 958.86 2.400 51 775.63 1.941 99 774.17 1.938 89 772.46 1.933 103 770.87 1.929 141 769.17 1.925 117 765.50 1.916 152 764.40 1.913 114 761.96 1.907 143 760.13 1.902 173 758.67 1.899 157 757.93 1.897 144 756.59 1.894 165 753.54 1.886 140 751.95 1.882 73 748.90 1.874 108 744.87 1.864 67 743.65 1.861 65 742.55 1.859 72 740.60 1.854 47 738.65 1.849 55 737.92 1.847 51 736.94 1.844 58 735.60 1.841 66 734.13 1.837 67 731.81 1.832 49 726.93 1.819 54 687.38 1.720 58 686.04 1.717 63 684.69 1.714 64 681.27 1.705 83 678.71 1.699 67 677.25 1.695 79 676.27 1.693 73 673.95 1.687 79 671.39 1.680 72 668.95 1.674 62 664.31 1.663 58 647.09 1.620 55 641.97 1.607 94 636.84 1.594 134 631.71 1.581 191 628.30 1.573 115 626.46 1.568 150 623.54 1.561 147 620.61 1.553 109 618.29 1.548 168 616.58 1.543 135 613.89 1.537 160 609.62 1.526 114 608.64 1.523 126 605.83 1.516 173 603.15 1.510 137 599.85 1.501 101 598.14 1.497 111 595.09 1.490 115 593.26 1.485 86 590.94 1.479 81 589.23 1.475 68 587.89 1.472 66 586.06 1.467 59 583.01 1.459 49 559.08 1.399 52 557.25 1.395 46 554.20 1.387 65 549.19 1.375 67 546.88 1.369 60 543.58 1.361 73 511.47 1.280 906 358.76 0.898 346 352.05 0.881 1000 344.97 0.864 399
in CDCl3
liquid film
