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cis-1-(2-Propenyl)-2-[((2,4,6-triisopropylphenyl)thio)methyl]cyclohexane
SpectraBase Compound ID 9Xl1aZzF0mz
InChI InChI=1S/C25H40S/c1-16(2)21-13-23(18(5)6)25(24(14-21)19(7)8)26-15-20-11-9-10-12-22(20)17(3)4/h13-14,16,18-20,22H,3,9-12,15H2,1-2,4-8H3/t20-,22+/m1/s1
InChIKey XJFGTAPNSQZDIY-IRLDBZIGSA-N
Mol Weight 372.7 g/mol
Molecular Formula C25H40S
Exact Mass 372.285072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dpIfkSwyly
Name cis-1-(2-Propenyl)-2-[((2,4,6-triisopropylphenyl)thio)methyl]cyclohexane
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Formula C25H40S
InChI InChI=1S/C25H40S/c1-16(2)21-13-23(18(5)6)25(24(14-21)19(7)8)26-15-20-11-9-10-12-22(20)17(3)4/h13-14,16,18-20,22H,3,9-12,15H2,1-2,4-8H3/t20-,22+/m1/s1
InChIKey XJFGTAPNSQZDIY-IRLDBZIGSA-N
Molecular Weight 372.655 g/mol
SMILES c1(c(cc(cc1C(C)C)C(C)C)C(C)C)SC[C@@]1([C@](C(=C)C)(CCCC1)[H])[H]
SPLASH splash10-000i-2592000000-8a0be8ae876bc184950b
Source of Spectrum J-61-501-2
Synonyms 2-({[(1S,2S)-2-allylcyclohexyl]methyl}sulfanyl)-1,3,5-triisopropylbenzene cis-1-(2-Isopropenyl)-2-[((2,4,6-triisopropylphenyl)thio)methyl]cyclohexane [(1S,2S)-2-allylcyclohexyl]methyl 2,4,6-triisopropylphenyl sulfide
Wiley ID 1355875