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1-Acetoxy-6-phenylthio-2-ochtodene
SpectraBase Compound ID 50kPUMiDGEa
InChI InChI=1S/C18H24O2S/c1-14(19)20-12-11-15-9-10-17(18(2,3)13-15)21-16-7-5-4-6-8-16/h4-8,11,17H,9-10,12-13H2,1-3H3/b15-11+
InChIKey DWEZHGPNYAUJLR-RVDMUPIBSA-N
Mol Weight 304.45 g/mol
Molecular Formula C18H24O2S
Exact Mass 304.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAB3uuaKWEM
Name 1-Acetoxy-6-phenylthio-2-ochtodene
CAS Registry Number 82528-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2S
InChI InChI=1S/C18H24O2S/c1-14(19)20-12-11-15-9-10-17(18(2,3)13-15)21-16-7-5-4-6-8-16/h4-8,11,17H,9-10,12-13H2,1-3H3/b15-11+
InChIKey DWEZHGPNYAUJLR-RVDMUPIBSA-N
Molecular Weight 304.448 g/mol
SMILES C1(C(Sc2ccccc2)CC\C(C1)=C/COC(=O)C)(C)C
SPLASH splash10-0019-0910000000-d9ceaa7491b04cf4757f
Source of Spectrum AJ-57-3471-12
Synonyms (2E)-2-[3,3-dimethyl-4-(phenylsulfanyl)cyclohexylidene]ethyl acetate
Wiley ID 1306550