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3-[(1S)-1-Iodomethyl-2-(p-tolylthio)cyclohex-2-en-1-yl]propyl acetate
SpectraBase Compound ID 8LId1sDs13C
InChI InChI=1S/C19H25IO2S/c1-15-7-9-17(10-8-15)23-18-6-3-4-11-19(18,14-20)12-5-13-22-16(2)21/h6-10H,3-5,11-14H2,1-2H3/t19-/m1/s1
InChIKey ZHQOKVMMLQJYOP-LJQANCHMSA-N
Mol Weight 444.37 g/mol
Molecular Formula C19H25IO2S
Exact Mass 444.061996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CahEUjpf6eb
Name 3-[(1S)-1-Iodomethyl-2-(p-tolylthio)cyclohex-2-en-1-yl]propyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25IO2S
InChI InChI=1S/C19H25IO2S/c1-15-7-9-17(10-8-15)23-18-6-3-4-11-19(18,14-20)12-5-13-22-16(2)21/h6-10H,3-5,11-14H2,1-2H3/t19-/m1/s1
InChIKey ZHQOKVMMLQJYOP-LJQANCHMSA-N
Molecular Weight 444.371 g/mol
SMILES C(C)(=O)OCCC[C@@]1(C(=CCCC1)Sc1ccc(cc1)C)CI
SPLASH splash10-0006-2200900000-6e258ece9437370e6cab
Source of Spectrum E1-43-1863-9
Synonyms 3-{(1S)-1-(iodomethyl)-2-[(4-methylphenyl)sulfanyl]-2-cyclohexen-1-yl}propyl acetate
Wiley ID 1553198