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N,N'-di(p-bromophenyl)-3,7-dichloro-benzo[1,2-b:4,5-b']dithiophene-2,6-dicarboxylic acid diamide
SpectraBase Compound ID 9REUDEKBUd1
InChI InChI=1S/C24H12Br2Cl2N2O2S2/c25-11-1-5-13(6-2-11)29-23(31)21-19(27)15-9-18-16(10-17(15)33-21)20(28)22(34-18)24(32)30-14-7-3-12(26)4-8-14/h1-10H,(H,29,31)(H,30,32)
InChIKey ROHYKNLRMVVYJC-UHFFFAOYSA-N
Mol Weight 655.21 g/mol
Molecular Formula C24H12Br2Cl2N2O2S2
Exact Mass 651.808401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OG4ZsV6OLX
Name N,N'-di(p-bromophenyl)-3,7-dichloro-benzo[1,2-b:4,5-b']dithiophene-2,6-dicarboxylic acid diamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H12Br2Cl2N2O2S2
InChI InChI=1S/C24H12Br2Cl2N2O2S2/c25-11-1-5-13(6-2-11)29-23(31)21-19(27)15-9-18-16(10-17(15)33-21)20(28)22(34-18)24(32)30-14-7-3-12(26)4-8-14/h1-10H,(H,29,31)(H,30,32)
InChIKey ROHYKNLRMVVYJC-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290090508
Molecular Weight 655.206 g/mol
SMILES N(C(c1c(c2c(cc3c(sc(C(Nc4ccc(cc4)Br)=O)c3Cl)c2)s1)Cl)=O)c1ccc(cc1)Br
SPLASH splash10-0006-9150200000-1d57306178854b5caa4f
Source of Spectrum RCM-9-402-3
Wiley ID 1835845