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1-Chloro-6-phenylthio-2-ochtodene

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1-Chloro-6-phenylthio-2-ochtodene
SpectraBase Compound ID GmfzjQLvCJa
InChI InChI=1S/C16H21ClS/c1-16(2)12-13(10-11-17)8-9-15(16)18-14-6-4-3-5-7-14/h3-7,10,15H,8-9,11-12H2,1-2H3/b13-10+
InChIKey DWQAQCDJXHVEOO-JLHYYAGUSA-N
Mol Weight 280.86 g/mol
Molecular Formula C16H21ClS
Exact Mass 280.10525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENBePwDFYUB
Name 1-Chloro-6-phenylthio-2-ochtodene
Alternate Name(s) (4E)-4-(2-chloroethylidene)-2,2-dimethylcyclohexyl phenyl sulfide {[(4E)-4-(2-chloroethylidene)-2,2-dimethylcyclohexyl]sulfanyl}benzene
CAS Registry Number 95495-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClS
InChI InChI=1S/C16H21ClS/c1-16(2)12-13(10-11-17)8-9-15(16)18-14-6-4-3-5-7-14/h3-7,10,15H,8-9,11-12H2,1-2H3/b13-10+
InChIKey DWQAQCDJXHVEOO-JLHYYAGUSA-N
Molecular Weight 280.857 g/mol
SMILES C1(C(Sc2ccccc2)CC\C(C1)=C/CCl)(C)C
SPLASH splash10-01qj-0890000000-821d0267c38003a7a541
Source of Spectrum AJ-57-3471-11
Wiley ID 1283917