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1,3-Di(4-bromophenyl)-1,3-dihydro-4-oxo-2-thioxo1H-thieno[2,3-d]pyrimidine-6-carboxyloic acid
SpectraBase Compound ID 7et0vKxWpHg
InChI InChI=1S/C19H10Br2N2O3S2/c20-10-1-5-12(6-2-10)22-16(24)14-9-15(18(25)26)28-17(14)23(19(22)27)13-7-3-11(21)4-8-13/h1-9H,(H,25,26)
InChIKey NMVSAIACVXIGPP-UHFFFAOYSA-N
Mol Weight 538.23 g/mol
Molecular Formula C19H10Br2N2O3S2
Exact Mass 535.849961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eVMKOtlARu
Name 1,3-Di(4-bromophenyl)-1,3-dihydro-4-oxo-2-thioxo1H-thieno[2,3-d]pyrimidine-6-carboxyloic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H10Br2N2O3S2
InChI InChI=1S/C19H10Br2N2O3S2/c20-10-1-5-12(6-2-10)22-16(24)14-9-15(18(25)26)28-17(14)23(19(22)27)13-7-3-11(21)4-8-13/h1-9H,(H,25,26)
InChIKey NMVSAIACVXIGPP-UHFFFAOYSA-N
Molecular Weight 538.228 g/mol
SMILES OC(c1sc2c(C(=O)N(C(N2c2ccc(cc2)Br)=S)c2ccc(cc2)Br)c1)=O
SPLASH splash10-00di-0009020000-53163ad9d34c708e5bd1
Source of Spectrum Y1-35-717-7
Synonyms 1,3-bis(4-bromophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Wiley ID 1526764