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4,7-bis(5-bromo-2-thienyl)benzothiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID i35niIXxBL
InChI InChI=1S/C18H10Br2O2S3/c1-22-18(21)14-8-11-9(12-4-6-15(19)23-12)2-3-10(17(11)25-14)13-5-7-16(20)24-13/h2-8H,1H3
InChIKey RQILIVVDQVWSQU-UHFFFAOYSA-N
Mol Weight 514.26 g/mol
Molecular Formula C18H10Br2O2S3
Exact Mass 511.820969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mZDGiiu1FM
Name 4,7-bis(5-bromo-2-thienyl)benzothiophene-2-carboxylic acid methyl ester
Alternate Name(s) 4,7-bis(5-bromo-2-thiophenyl)-1-benzothiophene-2-carboxylic acid methyl ester methyl 4,7-bis(5-bromanylthiophen-2-yl)-1-benzothiophene-2-carboxylate methyl 4,7-bis(5-bromo-2-thienyl)benzothiophene-2-carboxylate methyl 4,7-bis(5-bromothiophen-2-yl)-1-benzothiophene-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C18H10Br2O2S3
InChI InChI=1S/C18H10Br2O2S3/c1-22-18(21)14-8-11-9(12-4-6-15(19)23-12)2-3-10(17(11)25-14)13-5-7-16(20)24-13/h2-8H,1H3
InChIKey RQILIVVDQVWSQU-UHFFFAOYSA-N
Molecular Weight 514.264 g/mol
SMILES c12c(cc(s2)C(=O)OC)c(ccc1-c1ccc(s1)Br)-c1ccc(s1)Br
SPLASH splash10-0006-9000050000-c9cadf00b796c37d2e8b
Source of Spectrum J-67-5214-7
Wiley ID 1570380