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Pentanenitrile, 5-hydroxy-4-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

Pentanenitrile, 5-hydroxy-4-(phenylthio)-
SpectraBase Compound ID 2KeVB8AnmlY
InChI InChI=1S/C11H13NOS/c12-8-4-7-11(9-13)14-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7,9H2
InChIKey QYSGUDSTSFMWTH-UHFFFAOYSA-N
Mol Weight 207.29 g/mol
Molecular Formula C11H13NOS
Exact Mass 207.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Djg8C3utocS
Name Pentanenitrile, 5-hydroxy-4-(phenylthio)-
CAS Registry Number 108078-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NOS
InChI InChI=1S/C11H13NOS/c12-8-4-7-11(9-13)14-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7,9H2
InChIKey QYSGUDSTSFMWTH-UHFFFAOYSA-N
Molecular Weight 207.291 g/mol
SMILES OCC(Sc1ccccc1)CCC#N
SPLASH splash10-08i9-0920000000-25540c2254c903acb581
Source of Spectrum KC-1988-2527-21
Synonyms 5-Hydroxy-4-(phenylsulfanyl)pentanenitrile 5-Hydroxy-4-(phenylthio)pentanenitrile
Wiley ID 1205653