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acetic acid, [[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazol-4-yl]thio]-, methyl ester
SpectraBase Compound ID JC9M6Dk1XIP
InChI InChI=1S/C19H17N3O5S2/c1-26-16(23)11-29-15-10-13(22(24)25)9-14-17(15)18(19-27-7-8-28-19)20-21(14)12-5-3-2-4-6-12/h2-6,9-10,19H,7-8,11H2,1H3
InChIKey FQAPXMXRLSKHHI-UHFFFAOYSA-N
Mol Weight 431.48 g/mol
Molecular Formula C19H17N3O5S2
Exact Mass 431.060963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ak9POvNrWHy
Name 2-[[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-4-indazolyl]thio]acetic acid methyl ester
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Formula C19H17N3O5S2
InChI InChI=1S/C19H17N3O5S2/c1-26-16(23)11-29-15-10-13(22(24)25)9-14-17(15)18(19-27-7-8-28-19)20-21(14)12-5-3-2-4-6-12/h2-6,9-10,19H,7-8,11H2,1H3
InChIKey FQAPXMXRLSKHHI-UHFFFAOYSA-N
Molecular Weight 431.481 g/mol
SMILES c1(n[n](-c2ccccc2)c2c1c(cc(N(=O)=O)c2)SCC(=O)OC)C1SCCO1
SPLASH splash10-057i-9554100000-538e6257fa09632385b2
Synonyms 2-[[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazol-4-yl]thio]acetic acid methyl ester Methyl 2-[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazol-4-yl]sulfanylacetate Methyl 2-[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazol-4-yl]sulfanylethanoate Methyl {[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazol-4-yl]sulfanyl}acetate
Wiley ID 1464864