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4H-Cyclopenta[b]thiophen-4-one, 5,6-bis(4-methylphenyl)-
SpectraBase Compound ID 6cSyHV6wDBb
InChI InChI=1S/C21H16OS/c1-13-3-7-15(8-4-13)18-19(16-9-5-14(2)6-10-16)21-17(20(18)22)11-12-23-21/h3-12H,1-2H3
InChIKey GAVUBBJHGXDYSO-UHFFFAOYSA-N
Mol Weight 316.42 g/mol
Molecular Formula C21H16OS
Exact Mass 316.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aebUR7ez0X
Name 4H-Cyclopenta[b]thiophen-4-one, 5,6-bis(4-methylphenyl)-
Alternate Name(s) 5,6-bis(4'-methylphenyl)-4H-cyclopenta[b]thiophen-4-one 5,6-bis(4-methylphenyl)-4H-cyclopenta[b]thiophen-4-one
CAS Registry Number 131269-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16OS
InChI InChI=1S/C21H16OS/c1-13-3-7-15(8-4-13)18-19(16-9-5-14(2)6-10-16)21-17(20(18)22)11-12-23-21/h3-12H,1-2H3
InChIKey GAVUBBJHGXDYSO-UHFFFAOYSA-N
Molecular Weight 316.418 g/mol
SMILES c12C(=C(c3ccc(cc3)C)C(c1ccs2)=O)c1ccc(cc1)C
SPLASH splash10-014i-1139000000-81dfddc4a30a7f51dc87
Source of Spectrum I-68-1981-22
Wiley ID 1317137