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Cyclopentanecarbonitrile, 3-oxo-2-[(phenylthio)methyl]-
SpectraBase Compound ID JNUmo7i7MUu
InChI InChI=1S/C13H13NOS/c14-8-10-6-7-13(15)12(10)9-16-11-4-2-1-3-5-11/h1-5,10,12H,6-7,9H2
InChIKey WQZPLSYIGLEYMN-UHFFFAOYSA-N
Mol Weight 231.31 g/mol
Molecular Formula C13H13NOS
Exact Mass 231.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VYdFw0WnqT
Name Cyclopentanecarbonitrile, 3-oxo-2-[(phenylthio)methyl]-
Alternate Name(s) 3-Oxo-2-phenylthiomethylcyclopentane carbonitrile 3-Oxo-2-[(phenylsulfanyl)methyl]cyclopentanecarbonitrile
CAS Registry Number 90380-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NOS
InChI InChI=1S/C13H13NOS/c14-8-10-6-7-13(15)12(10)9-16-11-4-2-1-3-5-11/h1-5,10,12H,6-7,9H2
InChIKey WQZPLSYIGLEYMN-UHFFFAOYSA-N
Molecular Weight 231.313 g/mol
SMILES C1(C(CCC1C#N)=O)CSc1ccccc1
SPLASH splash10-03xr-6900000000-cf7aaf9c4846a0756964
Source of Spectrum F-43-320-4
Wiley ID 1232730