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1-Propanone, 1-[2-(phenylthio)cyclopropyl]-, trans-
SpectraBase Compound ID 7mlQooEE0yQ
InChI InChI=1S/C12H14OS/c1-2-11(13)10-8-12(10)14-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-,12+/m0/s1
InChIKey OABVMEXFYHFXFX-CMPLNLGQSA-N
Mol Weight 206.3 g/mol
Molecular Formula C12H14OS
Exact Mass 206.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Asnf1jPSSXF
Name 1-Propanone, 1-[2-(phenylthio)cyclopropyl]-, trans-
CAS Registry Number 122190-12-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14OS
InChI InChI=1S/C12H14OS/c1-2-11(13)10-8-12(10)14-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-,12+/m0/s1
InChIKey OABVMEXFYHFXFX-CMPLNLGQSA-N
Molecular Weight 206.303 g/mol
SMILES [C@]1([C@](C(=O)CC)(C1)[H])(Sc1ccccc1)[H]
SPLASH splash10-0002-9100000000-e0288f319dbb0243a050
Source of Spectrum J-54-4412-30
Synonyms 1-[(1S,2R)-2-(phenylsulfanyl)cyclopropyl]-1-propanone trans-1-(phenylthio)-2-propionylcyclopropane
Wiley ID 1204327