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1-Methyl-3-oxo-2-phenylthiomethyl cyclopentane carbonitrile
SpectraBase Compound ID 9rRvZpythQK
InChI InChI=1S/C14H15NOS/c1-14(10-15)8-7-13(16)12(14)9-17-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKey UXCQRQDSAUOWSQ-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C14H15NOS
Exact Mass 245.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GNz0j6Izkm
Name 1-Methyl-3-oxo-2-phenylthiomethyl cyclopentane carbonitrile
Alternate Name(s) 1-Methyl-3-oxo-2-[(phenylsulfanyl)methyl]cyclopentanecarbonitrile
CAS Registry Number 112496-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NOS
InChI InChI=1S/C14H15NOS/c1-14(10-15)8-7-13(16)12(14)9-17-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKey UXCQRQDSAUOWSQ-UHFFFAOYSA-N
Molecular Weight 245.340 g/mol
SMILES C1(C(C#N)(CCC1=O)C)CSc1ccccc1
SPLASH splash10-03fr-9700000000-27623fa5c7642c087bdf
Source of Spectrum F-43-320-4
Wiley ID 1247977