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1H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-3,6-dihydroxy-6-methyl-4-(3-pyridinyl)-, phenylmethyl ester
SpectraBase Compound ID 6a9IVf6XMqD
InChI InChI=1S/C21H21N3O4/c1-21(27)10-15-17(19(25)24-23-15)16(14-8-5-9-22-11-14)18(21)20(26)28-12-13-6-3-2-4-7-13/h2-9,11,16,18,27H,10,12H2,1H3,(H2,23,24,25)
InChIKey SXGBSTMIILUDRF-UHFFFAOYSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvNSKkeFo6z
Name 1H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-3,6-dihydroxy-6-methyl-4-(3-pyridinyl)-, phenylmethyl ester
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Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-21(27)10-15-17(19(25)24-23-15)16(14-8-5-9-22-11-14)18(21)20(26)28-12-13-6-3-2-4-7-13/h2-9,11,16,18,27H,10,12H2,1H3,(H2,23,24,25)
InChIKey SXGBSTMIILUDRF-UHFFFAOYSA-N
Molecular Weight 379.416 g/mol
SMILES [nH]1c2CC(C(C(c2c(n1)O)c1cnccc1)C(OCc1ccccc1)=O)(O)C
SPLASH splash10-0006-9220000000-1649da36d54aea7f19cf
Synonyms (phenylmethyl) 6-methyl-6-oxidanyl-3-oxidanylidene-4-pyridin-3-yl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate 6-Hydroxy-3-keto-6-methyl-4-(3-pyridyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid benzyl ester 6-Hydroxy-6-methyl-3-oxo-4-(3-pyridinyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid (phenylmethyl) ester benzyl 6-hydroxy-6-methyl-3-oxo-4-(3-pyridyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate benzyl 6-hydroxy-6-methyl-3-oxo-4-pyridin-3-yl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate
Wiley ID 1449662