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4-(3-Amino-4-(hydroxy(5-(trifluoromethyl)-1H-indazol-1-yl)methyl)-1H-pyrazol-5-yl) benzoic acid
SpectraBase Compound ID 8q26lgQdOTl
InChI InChI=1S/C19H14F3N5O3/c20-19(21,22)12-5-6-13-11(7-12)8-24-27(13)17(28)14-15(25-26-16(14)23)9-1-3-10(4-2-9)18(29)30/h1-8,17,28H,(H,29,30)(H3,23,25,26)
InChIKey JSDZMSCBPUIOGB-UHFFFAOYSA-N
Mol Weight 417.35 g/mol
Molecular Formula C19H14F3N5O3
Exact Mass 417.104874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qNtlLc3zUz
Name 4-(3-Amino-4-(hydroxy(5-(trifluoromethyl)-1H-indazol-1-yl)methyl)-1H-pyrazol-5-yl) benzoic acid
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14F3N5O3
InChI InChI=1S/C19H14F3N5O3/c20-19(21,22)12-5-6-13-11(7-12)8-24-27(13)17(28)14-15(25-26-16(14)23)9-1-3-10(4-2-9)18(29)30/h1-8,17,28H,(H,29,30)(H3,23,25,26)
InChIKey JSDZMSCBPUIOGB-UHFFFAOYSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2828
Molecular Weight 417.348 g/mol
SMILES Nc1c(C(O)[n]2ncc3c2ccc(c3)C(F)(F)F)c([nH]n1)-c1ccc(cc1)C(=O)O
SPLASH splash10-014s-5985300000-6a812bbd21aebf51b80f
Source of Spectrum Y-54-2374-10c
Wiley ID 1878453