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2-Phenylthiomethyl-3-formyl-cyclopentan-1-one
SpectraBase Compound ID 6a1mTyLy9O7
InChI InChI=1S/C13H14O2S/c14-8-10-6-7-13(15)12(10)9-16-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2
InChIKey FTFWDVQIDQSEGC-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKlUaBwoNZg
Name 2-Phenylthiomethyl-3-formyl-cyclopentan-1-one
Alternate Name(s) 2-Phenylthiomethyl-3-formyl-cyclopentanone 3-Oxo-2-[(phenylsulfanyl)methyl]cyclopentanecarbaldehyde 3-Oxo-2-[(phenylthio)methyl]-1-cyclopentanecarboxaldehyde 3-Oxo-2-(phenylsulfanylmethyl)cyclopentane-1-carbaldehyde 3-Oxo-2-(phenylsulfanylmethyl)cyclopentanecarbaldehyde 3-Oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carbaldehyde
CAS Registry Number 127477-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c14-8-10-6-7-13(15)12(10)9-16-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2
InChIKey FTFWDVQIDQSEGC-UHFFFAOYSA-N
Molecular Weight 234.313 g/mol
SMILES C1(C(CCC1C=O)=O)CSc1ccccc1
SPLASH splash10-000t-9320000000-60101fe9fdd00f5774c3
Source of Spectrum F-45-7028-4
Wiley ID 1235843