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2H-1-Benzothiopyran-4-carbonitrile, 2-butyl-3,4-dihydro-
SpectraBase Compound ID 7H8ZA22qqPR
InChI InChI=1S/C14H17NS/c1-2-3-6-12-9-11(10-15)13-7-4-5-8-14(13)16-12/h4-5,7-8,11-12H,2-3,6,9H2,1H3
InChIKey DXJVQBNQHYMKCP-UHFFFAOYSA-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 CcS21gjy5NB
Name 2H-1-Benzothiopyran-4-carbonitrile, 2-butyl-3,4-dihydro-
CAS Registry Number 101384-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NS
InChI InChI=1S/C14H17NS/c1-2-3-6-12-9-11(10-15)13-7-4-5-8-14(13)16-12/h4-5,7-8,11-12H,2-3,6,9H2,1H3
InChIKey DXJVQBNQHYMKCP-UHFFFAOYSA-N
Molecular Weight 231.357 g/mol
SMILES c12SC(CC(c2cccc1)C#N)CCCC
SPLASH splash10-001i-0790000000-41550c275d32c72659c9
Source of Spectrum KC-1988-3379-10
Synonyms 2-Butyl-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile 2-Butylthiochroman-4-carbonitrile
Wiley ID 1232968