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propanoic acid, 3-[[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]thio]-, methyl ester
SpectraBase Compound ID L4r59tdht1O
InChI InChI=1S/C20H19N3O6S/c1-27-17(24)7-10-30-16-12-14(23(25)26)11-15-18(16)19(20-28-8-9-29-20)21-22(15)13-5-3-2-4-6-13/h2-6,11-12,20H,7-10H2,1H3
InChIKey KEKCYFBSEIATHY-UHFFFAOYSA-N
Mol Weight 429.45 g/mol
Molecular Formula C20H19N3O6S
Exact Mass 429.099457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdEOlAAXiFg
Name 3-[[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-4-indazolyl]thio]propanoic acid methyl ester
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Formula C20H19N3O6S
InChI InChI=1S/C20H19N3O6S/c1-27-17(24)7-10-30-16-12-14(23(25)26)11-15-18(16)19(20-28-8-9-29-20)21-22(15)13-5-3-2-4-6-13/h2-6,11-12,20H,7-10H2,1H3
InChIKey KEKCYFBSEIATHY-UHFFFAOYSA-N
Molecular Weight 429.447 g/mol
SMILES c1(n[n](-c2ccccc2)c2c1c(cc(N(=O)=O)c2)SCCC(=O)OC)C1OCCO1
SPLASH splash10-05dm-9755200000-65924601fd867cee8261
Synonyms 3-[[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazol-4-yl]thio]propionic acid methyl ester Methyl 3-[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazol-4-yl]sulfanylpropanoate Methyl 3-{[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate
Wiley ID 1464165