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3,5,6,7-Tetrahydro-6,6-dimethyl-3-phenyl-2-(2-thienyl)benzofuran-4(2H)-one
SpectraBase Compound ID 3j6P5NxCDaN
InChI InChI=1S/C20H20O2S/c1-20(2)11-14(21)18-15(12-20)22-19(16-9-6-10-23-16)17(18)13-7-4-3-5-8-13/h3-10,17,19H,11-12H2,1-2H3
InChIKey KMWBPWHXBFDCRT-UHFFFAOYSA-N
Mol Weight 324.44 g/mol
Molecular Formula C20H20O2S
Exact Mass 324.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBmIAJfhrbX
Name 3,5,6,7-Tetrahydro-6,6-dimethyl-3-phenyl-2-(2-thienyl)benzofuran-4(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O2S
InChI InChI=1S/C20H20O2S/c1-20(2)11-14(21)18-15(12-20)22-19(16-9-6-10-23-16)17(18)13-7-4-3-5-8-13/h3-10,17,19H,11-12H2,1-2H3
InChIKey KMWBPWHXBFDCRT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200098
Molecular Weight 324.438 g/mol
SMILES CC1(C)CC(C2=C(C1)OC(c1sccc1)C2c1ccccc1)=O
SPLASH splash10-001i-9100000000-d867bdd3bc3b104107a6
Source of Spectrum H-96-140-3g
Synonyms 6,6-Dimethyl-3-phenyl-2-(thiophen-2-yl)-3,5,6,7-tetrahydrobenzofuran-4(2H)-one
Wiley ID 1784533