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6-(4-Methoxyphenyl)-2H-thiopyran-3-carbonitrile
SpectraBase Compound ID ER6835GoxQI
InChI InChI=1S/C13H11NOS/c1-15-12-5-3-11(4-6-12)13-7-2-10(8-14)9-16-13/h2-7H,9H2,1H3
InChIKey OAAOTSDTWVREMG-UHFFFAOYSA-N
Mol Weight 229.3 g/mol
Molecular Formula C13H11NOS
Exact Mass 229.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12yVTWKuBr2
Name 6-(4-Methoxyphenyl)-2H-thiopyran-3-carbonitrile
Alternate Name(s) 3-Cyano-6-(4-methoxyphenyl)-2H-thiopyran
CAS Registry Number 37750-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NOS
InChI InChI=1S/C13H11NOS/c1-15-12-5-3-11(4-6-12)13-7-2-10(8-14)9-16-13/h2-7H,9H2,1H3
InChIKey OAAOTSDTWVREMG-UHFFFAOYSA-N
Molecular Weight 229.297 g/mol
SMILES COc1ccc(cc1)C1=CC=C(CS1)C#N
SPLASH splash10-004i-1590000000-c171758320937a02511c
Source of Spectrum O-11-299-7
Wiley ID 1230728