For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2H-Thiopyran-3-carbonitrile, 4-(4-chlorophenyl)-6-(1,1-dimethylethyl)-3,4-dihydro-
SpectraBase Compound ID 3qK0JvxDrAB
InChI InChI=1S/C16H18ClNS/c1-16(2,3)15-8-14(12(9-18)10-19-15)11-4-6-13(17)7-5-11/h4-8,12,14H,10H2,1-3H3
InChIKey FPIMNVVCBSSMOQ-UHFFFAOYSA-N
Mol Weight 291.84 g/mol
Molecular Formula C16H18ClNS
Exact Mass 291.084848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 40FuqfXv2Vl
Name 2H-Thiopyran-3-carbonitrile, 4-(4-chlorophenyl)-6-(1,1-dimethylethyl)-3,4-dihydro-
CAS Registry Number 82518-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18ClNS
InChI InChI=1S/C16H18ClNS/c1-16(2,3)15-8-14(12(9-18)10-19-15)11-4-6-13(17)7-5-11/h4-8,12,14H,10H2,1-3H3
InChIKey FPIMNVVCBSSMOQ-UHFFFAOYSA-N
Molecular Weight 291.840 g/mol
SMILES C1=C(SCC(C1c1ccc(cc1)Cl)C#N)C(C)(C)C
SPLASH splash10-001i-0790000000-4af95732e5432dfc4ed3
Source of Spectrum AJ-58-673-5
Synonyms 6-t-butyl-3-cyano-4-(p-chorophenyl)-3,4-dihydro-2H-thiopyran 6-tert-Butyl-4-(4-chlorophenyl)-3,4-dihydro-2H-thiopyran-3-carbonitrile
Wiley ID 1294527