1,2,3,4-Tetrahydroquinoline(635-46-1) MS
Product Name1,2,3,4-Tetrahydroquinoline
CAS635-46-1
Molecular FormulaC9H11N
Molecular Weight133.19
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2
InChIKey LBUJPTNKIBCYBY-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)CCC1
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MassMS-NW-0057 1,2,3,4-tetrahydroquinoline C9H11N (Mass of molecular ion: 133)
Source Temperature: 220 °C Sample Temperature: 55 °C Reservoir, 75 eV
27.0 1.6 28.0 1.1 39.0 3.5 50.0 2.3 51.0 6.1 52.0 2.5 58.5 1.3 63.0 2.3 64.0 1.0 64.5 2.5 65.0 4.7 65.5 4.3 66.0 1.5 66.5 2.0 74.0 1.0 75.0 1.1 76.0 1.5 77.0 10.1 78.0 5.6 79.0 3.0 89.0 1.6 90.0 2.2 91.0 7.2 102.0 1.8 103.0 4.1 104.0 7.4 105.0 4.8 106.0 2.1 115.0 4.6 116.0 1.2 117.0 17.5 118.0 20.6 119.0 1.9 129.0 1.2 130.0 12.3 131.0 4.1 132.0 100.0 133.0 84.4 134.0 8.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H11 N 14.0 mg : 0.5 ml CDCl3 1,2,3,4-tetrahydroquinoline 
Assign. Shift(ppm)
A 6.95 B 6.94 C 6.598 D 6.464 E 3.80 F 3.288 G 2.757 J 1.936
Hz ppm Int.2788.82 6.979 138 2788.21 6.977 258 2787.35 6.975 244 2786.62 6.973 314 2785.89 6.971 151 2781.62 6.961 201 2780.88 6.959 368 2780.27 6.957 437 2779.42 6.955 706 2778.69 6.953 815 2778.08 6.952 640 2777.59 6.951 645 2776.61 6.948 463 2776.00 6.947 232 2775.02 6.944 122 2773.80 6.941 129 2773.19 6.940 230 2772.34 6.937 406 2771.61 6.936 748 2770.87 6.934 663 2770.02 6.932 725 2769.04 6.929 510 2768.43 6.928 221 2767.58 6.926 91 2644.78 6.618 408 2643.55 6.615 393 2637.45 6.600 687 2636.35 6.597 614 2630.13 6.582 354 2628.91 6.579 333 2587.65 6.475 590 2587.16 6.474 586 2586.43 6.472 545 2579.83 6.456 541 2579.22 6.454 562 2578.61 6.453 503 1518.68 3.801 89 1319.82 3.303 905 1317.26 3.297 258 1314.33 3.289 920 1311.40 3.282 234 1308.84 3.275 941 1108.64 2.775 524 1102.17 2.758 1000 1099.00 2.750 92 1095.83 2.742 607 784.91 1.964 391 782.59 1.959 111 780.76 1.954 223 779.30 1.950 465 778.32 1.948 655 776.37 1.943 222 775.51 1.941 187 773.80 1.937 595 773.07 1.935 530 772.71 1.934 557 771.97 1.932 605 769.65 1.926 216 767.33 1.921 614 765.14 1.915 195 763.31 1.910 88 760.99 1.905 350
in CDCl3
liquid film
