4,6,8-Trimethylazulene(941-81-1) IR1
Product Name4,6,8-Trimethylazulene
CAS941-81-1
Molecular FormulaC13H14
Molecular Weight170.25
InChIInChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3
InChIKey RUNBRXWUHPOTOO-UHFFFAOYSA-N
SmilesC1=C2C(=C(C)C=C(C)C=C2C)C=C1
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MassMS-NW-9832 4,6,8-trimethylazulene C13H14 (Mass of molecular ion: 170)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
31.0 1.7 39.0 2.1 45.0 1.2 50.0 1.0 51.0 3.1 63.0 3.9 64.0 1.9 65.0 1.6 69.5 1.1 70.0 1.1 71.0 2.0 75.0 1.5 76.0 5.5 76.5 1.5 77.0 4.3 82.0 2.3 82.5 1.6 83.0 3.7 84.0 1.9 85.0 3.9 89.0 1.7 91.0 1.8 102.0 1.3 115.0 13.7 116.0 2.2 126.0 1.3 127.0 6.3 128.0 12.6 129.0 12.9 130.0 2.7 139.0 4.0 140.0 1.0 141.0 4.8 142.0 1.5 143.0 1.1 144.0 2.8 147.0 1.4 151.0 3.3 152.0 13.7 153.0 26.1 154.0 15.6 155.0 80.9 156.0 10.6 162.0 1.4 165.0 3.1 167.0 2.7 169.0 12.0 170.0 100.0 171.0 14.2
KBr disc
nujol mull
