PINONIC ACID(61826-55-9) Raman
Product NamePINONIC ACID
CAS61826-55-9
Molecular FormulaC10H16O3
Molecular Weight184.23
InChIInChI=1/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)/t7-,8+/s3
InChIKey SIZDUQQDBXJXLQ-WWXSATIUNA-N
Smiles[C@H]1(CC(O)=O)C[C@@H](C(C)=O)C1(C)C |&1:0,6,r|
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MassMS-IW-6204 cis-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid C10H16O3 (Mass of molecular ion: 184)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.9 18.0 1.2 27.0 7.8 28.0 1.9 29.0 5.2 39.0 9.1 40.0 1.7 41.0 27.2 42.0 3.1 43.0 63.1 44.0 1.7 45.0 2.4 51.0 1.5 53.0 6.7 54.0 1.7 55.0 26.1 56.0 6.3 57.0 2.1 58.0 2.4 59.0 6.3 65.0 1.3 67.0 6.8 68.0 21.8 69.0 82.8 70.0 7.5 71.0 77.0 72.0 8.3 73.0 1.3 77.0 2.0 79.0 3.6 80.0 1.9 81.0 14.5 82.0 4.0 83.0 100.0 84.0 6.6 85.0 2.4 86.0 1.7 91.0 1.2 93.0 1.1 95.0 10.6 96.0 21.5 97.0 3.7 98.0 52.4 99.0 7.6 105.0 1.7 106.0 2.3 107.0 7.3 108.0 2.3 109.0 11.0 110.0 1.1 111.0 1.9 113.0 1.5 114.0 26.0 115.0 2.7 120.0 1.2 121.0 2.6 122.0 1.2 123.0 10.5 124.0 12.3 125.0 26.5 126.0 3.1 127.0 3.3 138.0 2.5 141.0 1.6 151.0 2.5 166.0 12.4 167.0 2.7 169.0 5.4 184.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H16 O3 0.030 g : 0.5 ml CDCl3 cis-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid 
Assign. Shift(ppm)
A 11. B 2.894 C 2.38 D 2.32 E 2.055 F 1.99 G 1.96 J *1 1.333 K *1 0.878
Hz ppm Int.1165.67 2.917 69 1158.16 2.898 84 1155.78 2.892 80 1148.09 2.873 76 960.16 2.403 38 956.68 2.394 54 954.66 2.389 79 952.65 2.384 48 950.82 2.380 50 949.54 2.376 61 947.70 2.372 56 944.04 2.363 143 942.03 2.358 91 939.64 2.352 60 937.08 2.345 81 931.58 2.331 103 926.27 2.318 31 921.51 2.306 77 914.18 2.288 54 821.32 2.056 1000 807.40 2.021 51 805.75 2.017 65 796.04 1.992 91 789.63 1.976 56 786.15 1.968 64 781.94 1.957 88 778.27 1.948 37 774.24 1.938 50 770.40 1.928 44 533.20 1.335 844 351.13 0.879 752
in CDCl3
