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Benzoic acid, 4-chloro-, 7-(4-nitrophenyl)-2-thioxo-2H-benzoxathiol-5-yl ester
SpectraBase Compound ID CemK4YF0EvS
InChI InChI=1S/C20H10ClNO5S2/c21-13-5-1-12(2-6-13)19(23)26-15-9-16(18-17(10-15)29-20(28)27-18)11-3-7-14(8-4-11)22(24)25/h1-10H
InChIKey NEVCUGNCRSNUGS-UHFFFAOYSA-N
Mol Weight 443.88 g/mol
Molecular Formula C20H10ClNO5S2
Exact Mass 442.968892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yfx41AHVFe
Name Benzoic acid, 4-chloro-, 7-(4-nitrophenyl)-2-thioxo-2H-benzoxathiol-5-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10ClNO5S2
InChI InChI=1S/C20H10ClNO5S2/c21-13-5-1-12(2-6-13)19(23)26-15-9-16(18-17(10-15)29-20(28)27-18)11-3-7-14(8-4-11)22(24)25/h1-10H
InChIKey NEVCUGNCRSNUGS-UHFFFAOYSA-N
Molecular Weight 443.875 g/mol
SMILES c12c(SC(O2)=S)cc(cc1-c1ccc(N(=O)=O)cc1)OC(c1ccc(cc1)Cl)=O
SPLASH splash10-000i-3900000000-63e5e7161d5c684c5cd9
Source of Spectrum AD-0-2532-0
Synonyms 4-Chlorobenzoic acid [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] ester [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-chlorobenzoate [7-(4-nitrophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] 4-chlorobenzoate [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-chloranylbenzoate
Wiley ID 1430556