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Pentanenitrile, 4-oxo-3-(phenylthio)-
SpectraBase Compound ID deUUWU5RkZ
InChI InChI=1S/C11H11NOS/c1-9(13)11(7-8-12)14-10-5-3-2-4-6-10/h2-6,11H,7H2,1H3
InChIKey GVOZFQJTDVNKLT-UHFFFAOYSA-N
Mol Weight 205.27 g/mol
Molecular Formula C11H11NOS
Exact Mass 205.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0XjAYV8uPG
Name Pentanenitrile, 4-oxo-3-(phenylthio)-
CAS Registry Number 108378-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NOS
InChI InChI=1S/C11H11NOS/c1-9(13)11(7-8-12)14-10-5-3-2-4-6-10/h2-6,11H,7H2,1H3
InChIKey GVOZFQJTDVNKLT-UHFFFAOYSA-N
Molecular Weight 205.275 g/mol
SMILES C(#N)CC(Sc1ccccc1)C(=O)C
SPLASH splash10-08fr-0920000000-1da4b0a871a79d1cb8df
Source of Spectrum KC-1986-1703-58
Synonyms 4-Oxo-3-(phenylsulfanyl)pentanenitrile 4-Oxo-3-phenylthiopentanenitrile 4-Oxo-3-(phenylthio)pentanenitrile 4-Oxo-3-phenylsulfanylpentanenitrile 4-Oxo-3-phenylsulfanyl-pentanenitrile 4-Oxidanylidene-3-phenylsulfanyl-pentanenitrile
Wiley ID 1203313