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Pentanenitrile, 5-hydroxy-4-[(4-methylphenyl)thio]-
SpectraBase Compound ID HkSx1XZWQoy
InChI InChI=1S/C12H15NOS/c1-10-4-6-11(7-5-10)15-12(9-14)3-2-8-13/h4-7,12,14H,2-3,9H2,1H3
InChIKey WZWWPOYHPPPWFJ-UHFFFAOYSA-N
Mol Weight 221.32 g/mol
Molecular Formula C12H15NOS
Exact Mass 221.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sWumwJFKL3
Name Pentanenitrile, 5-hydroxy-4-[(4-methylphenyl)thio]-
Alternate Name(s) 5-Hydroxy-4-(4-methylphenylthio)pentanenitrile 5-Hydroxy-4-p-tolylthiopentanenitrile 5-Hydroxy-4-[(4-methylphenyl)sulfanyl]pentanenitrile
CAS Registry Number 108078-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c1-10-4-6-11(7-5-10)15-12(9-14)3-2-8-13/h4-7,12,14H,2-3,9H2,1H3
InChIKey WZWWPOYHPPPWFJ-UHFFFAOYSA-N
Molecular Weight 221.318 g/mol
SMILES OCC(Sc1ccc(cc1)C)CCC#N
SPLASH splash10-00dl-0950000000-b3b9ffb4aa4508a0fe88
Source of Spectrum KC-1988-2527-25
Wiley ID 1221214