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3-(4-Nitrobenzoyl)-2-thioxo-2,3-dihydro-1,3-thiazol-4-yl 4-nitrobenzoate
SpectraBase Compound ID IphP5xrJogS
InChI InChI=1S/C17H9N3O7S2/c21-15(10-1-5-12(6-2-10)19(23)24)18-14(9-29-17(18)28)27-16(22)11-3-7-13(8-4-11)20(25)26/h1-9H
InChIKey KRLNZURDWRTOJN-UHFFFAOYSA-N
Mol Weight 431.39 g/mol
Molecular Formula C17H9N3O7S2
Exact Mass 430.988192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5GcIkSedXi
Name 3-(4-Nitrobenzoyl)-2-thioxo-2,3-dihydro-1,3-thiazol-4-yl 4-nitrobenzoate
CAS Registry Number 329218-74-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9N3O7S2
InChI InChI=1S/C17H9N3O7S2/c21-15(10-1-5-12(6-2-10)19(23)24)18-14(9-29-17(18)28)27-16(22)11-3-7-13(8-4-11)20(25)26/h1-9H
InChIKey KRLNZURDWRTOJN-UHFFFAOYSA-N
Molecular Weight 431.393 g/mol
SMILES C1=C(N(C(S1)=S)C(=O)c1ccc(cc1)N(=O)=O)OC(=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0udi-3900000000-21617b301fb212947fe1
Synonyms 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate 4-Nitrobenzoic acid [3-[(4-nitrophenyl)-oxomethyl]-2-sulfanylidene-4-thiazolyl] ester [3-(4-nitrobenzoyl)-2-sulfanylidene-1,3-thiazol-4-yl] 4-nitrobenzoate [3-(4-nitrobenzoyl)-2-thioxo-thiazol-4-yl] 4-nitrobenzoate [3-(4-nitrophenyl)carbonyl-2-sulfanylidene-1,3-thiazol-4-yl] 4-nitrobenzoate
Wiley ID 1470788