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Pentanenitrile, 4-hydroxy-3-(phenylthio)-
SpectraBase Compound ID IqZA69zInEQ
InChI InChI=1S/C11H13NOS/c1-9(13)11(7-8-12)14-10-5-3-2-4-6-10/h2-6,9,11,13H,7H2,1H3
InChIKey HIOFOKBLHMOQAR-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 HRCDwYbgama
Name Pentanenitrile, 4-hydroxy-3-(phenylthio)-
CAS Registry Number 108378-42-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NOS
InChI InChI=1S/C11H13NOS/c1-9(13)11(7-8-12)14-10-5-3-2-4-6-10/h2-6,9,11,13H,7H2,1H3
InChIKey HIOFOKBLHMOQAR-UHFFFAOYSA-N
Molecular Weight 207.291 g/mol
SMILES OC(C(Sc1ccccc1)CC#N)C
SPLASH splash10-000i-0910000000-6ee5c84b1a5a7b46f0c1
Source of Spectrum KC-1986-1703-59
Synonyms 4-Hydroxy-3-(phenylsulfanyl)pentanenitrile 4-Hydroxy-3-phenylthiopentanenitrile 4-Hydroxy-3-(phenylthio)pentanenitrile 4-Hydroxy-3-phenylsulfanylpentanenitrile 4-Hydroxy-3-phenylsulfanyl-pentanenitrile 4-Oxidanyl-3-phenylsulfanyl-pentanenitrile
Wiley ID 1205648