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6,8-Di-t-butyl-3,4-dihydro-4,4-dimethyl-1H-2-benzothiopyran

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

6,8-Di-t-butyl-3,4-dihydro-4,4-dimethyl-1H-2-benzothiopyran
SpectraBase Compound ID LINKD5GGfuR
InChI InChI=1S/C19H30S/c1-17(2,3)13-9-15(18(4,5)6)14-11-20-12-19(7,8)16(14)10-13/h9-10H,11-12H2,1-8H3
InChIKey GVGFBBYTIASBQF-UHFFFAOYSA-N
Mol Weight 290.51 g/mol
Molecular Formula C19H30S
Exact Mass 290.206822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K064u3bflGq
Name 6,8-di-T-Butyl-3,4-dihydro-4,4-dimethyl-1H-2-benzothiopyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.206822140 u
Formula C19H30S
InChI InChI=1S/C19H30S/c1-17(2,3)13-9-15(18(4,5)6)14-11-20-12-19(7,8)16(14)10-13/h9-10H,11-12H2,1-8H3
InChIKey GVGFBBYTIASBQF-UHFFFAOYSA-N
Molecular Weight 290.509 g/mol
SMILES C1=2C(=C(C(C)(C)C)C=C(C2)C(C)(C)C)CSCC1(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898728