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trans-1-Methyl-3-((phenylthio)methyl)-4-(2-propenyl)cyclohexene

View entire compound with spectra: 1 MS (GC)

trans-1-Methyl-3-((phenylthio)methyl)-4-(2-propenyl)cyclohexene
SpectraBase Compound ID Ip0u0TySp5O
InChI InChI=1S/C17H22S/c1-3-7-15-11-10-14(2)12-16(15)13-18-17-8-5-4-6-9-17/h3-6,8-9,12,15-16H,1,7,10-11,13H2,2H3/t15-,16+/m0/s1
InChIKey XHPFLHKMLNFTGR-JKSUJKDBSA-N
Mol Weight 258.42 g/mol
Molecular Formula C17H22S
Exact Mass 258.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgPRL7MUmbK
Name trans-1-Methyl-3-((phenylthio)methyl)-4-(2-propenyl)cyclohexene
Alternate Name(s) ({[(1R,6R)-6-allyl-3-methyl-2-cyclohexen-1-yl]methyl}sulfanyl)benzene [(1R,6R)-6-allyl-3-methyl-2-cyclohexen-1-yl]methyl phenyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22S
InChI InChI=1S/C17H22S/c1-3-7-15-11-10-14(2)12-16(15)13-18-17-8-5-4-6-9-17/h3-6,8-9,12,15-16H,1,7,10-11,13H2,2H3/t15-,16+/m0/s1
InChIKey XHPFLHKMLNFTGR-JKSUJKDBSA-N
Molecular Weight 258.423 g/mol
SMILES C=1[C@](CSc2ccccc2)([C@@](CC=C)(CCC1C)[H])[H]
SPLASH splash10-052f-7910000000-be18c83ce045aa50fff7
Source of Spectrum J-61-501-17
Wiley ID 1262210