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2H-Thiopyran-3-carbonitrile, 6-(1,1-dimethylethyl)-3,4-dihydro-4-phenyl-
SpectraBase Compound ID 1tJmkA7JMQc
InChI InChI=1S/C16H19NS/c1-16(2,3)15-9-14(13(10-17)11-18-15)12-7-5-4-6-8-12/h4-9,13-14H,11H2,1-3H3
InChIKey DFZPNETXUDDDOB-UHFFFAOYSA-N
Mol Weight 257.39 g/mol
Molecular Formula C16H19NS
Exact Mass 257.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATDBBd7SL15
Name 2H-Thiopyran-3-carbonitrile, 6-(1,1-dimethylethyl)-3,4-dihydro-4-phenyl-
CAS Registry Number 82518-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NS
InChI InChI=1S/C16H19NS/c1-16(2,3)15-9-14(13(10-17)11-18-15)12-7-5-4-6-8-12/h4-9,13-14H,11H2,1-3H3
InChIKey DFZPNETXUDDDOB-UHFFFAOYSA-N
Molecular Weight 257.395 g/mol
SMILES C1=C(SCC(C1c1ccccc1)C#N)C(C)(C)C
SPLASH splash10-0f6t-0890000000-5df303c7b1074905295e
Source of Spectrum AJ-58-672-5
Synonyms 6-t-butyl-3-cyano-4-phenyl-3,4-dihydro-2H-thiopyran 6-tert-Butyl-4-phenyl-3,4-dihydro-2H-thiopyran-3-carbonitrile
Wiley ID 1260983