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2-Methyl-4-phenyl-2H-1-benzothiopyran-3-carbonitrile
SpectraBase Compound ID 3pTBJugipuI
InChI InChI=1S/C17H13NS/c1-12-15(11-18)17(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12/h2-10,12H,1H3
InChIKey IBUAUQIIGDYZQQ-UHFFFAOYSA-N
Mol Weight 263.36 g/mol
Molecular Formula C17H13NS
Exact Mass 263.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkRq7J32Qe7
Name 2-Methyl-4-phenyl-2H-1-benzothiopyran-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NS
InChI InChI=1S/C17H13NS/c1-12-15(11-18)17(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12/h2-10,12H,1H3
InChIKey IBUAUQIIGDYZQQ-UHFFFAOYSA-N
Molecular Weight 263.358 g/mol
SMILES C1(=C(c2ccccc2SC1C)c1ccccc1)C#N
SPLASH splash10-0002-0090000000-80d6f01e108db96607e0
Source of Spectrum KC-0-1551-33
Synonyms 2-methyl-4-phenyl-2H-thiochromene-3-carbonitrile
Wiley ID 828048