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Benzoic acid, 7-(4-nitrophenyl)-2-thioxo-2H-benzoxathiol-5-yl ester
SpectraBase Compound ID FGvAxKECeft
InChI InChI=1S/C20H11NO5S2/c22-19(13-4-2-1-3-5-13)25-15-10-16(18-17(11-15)28-20(27)26-18)12-6-8-14(9-7-12)21(23)24/h1-11H
InChIKey MEZFLDYLHXALMF-UHFFFAOYSA-N
Mol Weight 409.43 g/mol
Molecular Formula C20H11NO5S2
Exact Mass 409.007865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Imv2XD3KBes
Name Benzoic acid, 7-(4-nitrophenyl)-2-thioxo-2H-benzoxathiol-5-yl ester
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Formula C20H11NO5S2
InChI InChI=1S/C20H11NO5S2/c22-19(13-4-2-1-3-5-13)25-15-10-16(18-17(11-15)28-20(27)26-18)12-6-8-14(9-7-12)21(23)24/h1-11H
InChIKey MEZFLDYLHXALMF-UHFFFAOYSA-N
Molecular Weight 409.430 g/mol
SMILES c12c(SC(O2)=S)cc(cc1-c1ccc(N(=O)=O)cc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-6900000000-0c04fc4fe26a198a8d43
Source of Spectrum AD-0-2532-0
Synonyms benzoic acid [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] ester [7-(4-nitrophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] benzoate [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] benzoate
Wiley ID 1430561