Cembrene(1898-13-1) MS
Molecular FormulaC20H32
Molecular Weight272.47
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+/t20-/m0/s1
InChIKey DMHADBQKVWXPPM-QXIQWJTQSA-N
SmilesC1[C@H](C(C)C)CCC(C)=CCCC(C)=CCC=C(C)C=1 |t:8,13,16,19|
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MassMS-NW-8207 (S-(e,z,e,e))-14-isopropyl-3,7,11-trimethyl-1,3,6,10-cyclotetradecatetraene C20H32 (Mass of molecular ion: 272)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 5.3 29.0 7.8 39.0 7.0 40.0 1.5 41.0 33.9 42.0 1.9 43.0 19.4 51.0 1.8 52.0 1.0 53.0 12.5 54.0 1.3 55.0 32.8 56.0 1.9 57.0 5.8 65.0 6.3 66.0 2.0 67.0 20.2 68.0 5.9 69.0 29.8 70.0 2.2 71.0 1.7 77.0 18.1 78.0 4.5 79.0 29.2 80.0 12.9 81.0 64.0 82.0 7.0 83.0 8.5 91.0 34.5 92.0 10.8 93.0 73.8 94.0 14.2 95.0 29.1 96.0 3.7 97.0 4.4 103.0 2.9 104.0 1.7 105.0 50.3 106.0 14.8 107.0 57.1 108.0 20.7 109.0 29.3 110.0 3.5 111.0 3.3 115.0 3.5 116.0 1.8 117.0 7.2 118.0 2.9 119.0 51.8 120.0 22.5 121.0 51.5 122.0 14.7 123.0 22.0 124.0 3.1 128.0 2.1 129.0 2.8 130.0 1.7 131.0 12.5 132.0 5.9 133.0 40.9 134.0 29.4 135.0 31.4 136.0 28.6 137.0 8.7 138.0 1.0 143.0 1.6 144.0 1.1 145.0 20.1 146.0 6.1 147.0 26.3 148.0 22.7 149.0 26.4 150.0 8.3 151.0 1.8 159.0 18.3 160.0 6.4 161.0 33.2 162.0 12.8 163.0 7.1 164.0 4.0 165.0 1.4 173.0 14.8 174.0 4.2 175.0 10.2 176.0 4.6 177.0 5.4 178.0 1.4 187.0 17.3 188.0 6.9 189.0 23.1 190.0 6.8 191.0 4.8 192.0 2.1 201.0 9.5 202.0 5.6 203.0 4.5 204.0 4.2 215.0 4.3 216.0 2.9 217.0 3.2 229.0 57.8 230.0 11.9 231.0 1.4 243.0 4.1 244.0 1.9 257.0 13.9 258.0 3.0 272.0 100.0 273.0 22.5 274.0 2.4
KBr disc
nujol mull
