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2H-1-Benzothiopyran-4-carbonitrile, 3-butyl-3,4-dihydro-, trans-
SpectraBase Compound ID JUTe7pdxTeg
InChI InChI=1S/C14H17NS/c1-2-3-6-11-10-16-14-8-5-4-7-12(14)13(11)9-15/h4-5,7-8,11,13H,2-3,6,10H2,1H3/t11-,13+/m0/s1
InChIKey YKPZLEMDPJRKPB-WCQYABFASA-N
Mol Weight 231.36 g/mol
Molecular Formula C14H17NS
Exact Mass 231.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZYjUaRg9oD
Name 2H-1-Benzothiopyran-4-carbonitrile, 3-butyl-3,4-dihydro-, trans-
CAS Registry Number 120783-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NS
InChI InChI=1S/C14H17NS/c1-2-3-6-11-10-16-14-8-5-4-7-12(14)13(11)9-15/h4-5,7-8,11,13H,2-3,6,10H2,1H3/t11-,13+/m0/s1
InChIKey YKPZLEMDPJRKPB-WCQYABFASA-N
Molecular Weight 231.357 g/mol
SMILES [C@]1(c2c(cccc2)SC[C@@]1(CCCC)[H])(C#N)[H]
SPLASH splash10-001i-0790000000-7e987960b52b306bb20f
Source of Spectrum KC-1988-3379-9
Synonyms (3R,4R)-3-butyl-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile trans-3-butylthiochroman-4-carbonitrile
Wiley ID 1232967