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1,4-Butanedione, 2,3-bis(8H-indeno[2,1-b]thien-8-ylidene)-1,4-diphenyl-
SpectraBase Compound ID H71PAFVANdT
InChI InChI=1S/C38H22O2S2/c39-35(23-11-3-1-4-12-23)33(31-27-17-9-7-15-25(27)29-19-21-41-37(29)31)34(36(40)24-13-5-2-6-14-24)32-28-18-10-8-16-26(28)30-20-22-42-38(30)32/h1-22H/b33-31-,34-32-
InChIKey BVBMVAQNIFNDEB-WANSBIPISA-N
Mol Weight 574.7 g/mol
Molecular Formula C38H22O2S2
Exact Mass 574.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjE9dd4PhNi
Name 1,4-Butanedione, 2,3-bis(8H-indeno[2,1-b]thien-8-ylidene)-1,4-diphenyl-
Alternate Name(s) (2Z,3Z)-2,3-di(8H-indeno[2,1-b]thien-8-ylidene)-1,4-diphenyl-1,4-butanedione 8H-indeno[2,1-b]thiophene, 1,4-butanedione deriv. Bis(thieno(2,3-b)indenylidene)-1,2-dibenzoylethane
CAS Registry Number 82168-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H22O2S2
InChI InChI=1S/C38H22O2S2/c39-35(23-11-3-1-4-12-23)33(31-27-17-9-7-15-25(27)29-19-21-41-37(29)31)34(36(40)24-13-5-2-6-14-24)32-28-18-10-8-16-26(28)30-20-22-42-38(30)32/h1-22H/b33-31-,34-32-
InChIKey BVBMVAQNIFNDEB-WANSBIPISA-N
Molecular Weight 574.712 g/mol
SMILES c12\C(c3c(-c2ccs1)cccc3)=C\(\C(=C\1c2c(ccs2)-c2c1cccc2)C(=O)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900400000-b356abdd72bde2d39cdd
Source of Spectrum Y-19-67-0
Wiley ID 1408099