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2(3H)-Thiophenone, dihydro-5-(iodomethyl)-3-(phenylmethyl)-, trans-
SpectraBase Compound ID HqPXrAYNYEz
InChI InChI=1S/C12H13IOS/c13-8-11-7-10(12(14)15-11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m1/s1
InChIKey ZEVFYMMFIDJCCM-MNOVXSKESA-N
Mol Weight 332.2 g/mol
Molecular Formula C12H13IOS
Exact Mass 331.973181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35ByCFQOdKj
Name 2(3H)-Thiophenone, dihydro-5-(iodomethyl)-3-(phenylmethyl)-, trans-
CAS Registry Number 88431-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13IOS
InChI InChI=1S/C12H13IOS/c13-8-11-7-10(12(14)15-11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m1/s1
InChIKey ZEVFYMMFIDJCCM-MNOVXSKESA-N
Molecular Weight 332.199 g/mol
SMILES C1(S[C@](CI)(C[C@]1(Cc1ccccc1)[H])[H])=O
SPLASH splash10-0a4l-4090000000-c29be03e4c12810f5064
Source of Spectrum C-106-1083-0
Synonyms (3R,5S)-3-benzyl-5-(iodomethyl)tetrahydrothiophen-2-one (3R,5S)-3-benzyl-5-(iodomethyl)thiolan-2-one (3R,5S)-5-(iodanylmethyl)-3-(phenylmethyl)thiolan-2-one (3R,5S)-5-(iodomethyl)-3-(phenylmethyl)-2-thiolanone
Wiley ID 1328992