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acetic acid, [[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]thio]-, methyl ester
SpectraBase Compound ID J4NA1BSPySr
InChI InChI=1S/C19H17N3O6S/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 OLFPJRKLDRVGRL-UHFFFAOYSA-N
Mol Weight 415.42 g/mol
Molecular Formula C19H17N3O6S
Exact Mass 415.083806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96oaRSIbKIR
Name 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-4-indazolyl]thio]acetic acid methyl ester
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Formula C19H17N3O6S
InChI InChI=1S/C19H17N3O6S/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 OLFPJRKLDRVGRL-UHFFFAOYSA-N
Molecular Weight 415.420 g/mol
SMILES c1(n[n](-c2ccccc2)c2c1c(cc(N(=O)=O)c2)SCC(=O)OC)C1OCCO1
SPLASH splash10-0006-7569100000-289c793585226dec2dca
Synonyms 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazol-4-yl]thio]acetic acid methyl ester Methyl 2-[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazol-4-yl]sulfanylacetate Methyl 2-[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazol-4-yl]sulfanylethanoate Methyl {[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}acetate
Wiley ID 1464869