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(3-Amino-5-(4-methoxyphenyl)-1H-pyrazol-4-yl)(5-(trifluoromethyl)-1H-indazol-1-yl) methanol
SpectraBase Compound ID 7phiXy46GUi
InChI InChI=1S/C19H16F3N5O2/c1-29-13-5-2-10(3-6-13)16-15(17(23)26-25-16)18(28)27-14-7-4-12(19(20,21)22)8-11(14)9-24-27/h2-9,18,28H,1H3,(H3,23,25,26)
InChIKey FCLDMTQVOQSHKP-UHFFFAOYSA-N
Mol Weight 403.37 g/mol
Molecular Formula C19H16F3N5O2
Exact Mass 403.125609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34fLyjwAls
Name (3-Amino-5-(4-methoxyphenyl)-1H-pyrazol-4-yl)(5-(trifluoromethyl)-1H-indazol-1-yl) methanol
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16F3N5O2
InChI InChI=1S/C19H16F3N5O2/c1-29-13-5-2-10(3-6-13)16-15(17(23)26-25-16)18(28)27-14-7-4-12(19(20,21)22)8-11(14)9-24-27/h2-9,18,28H,1H3,(H3,23,25,26)
InChIKey FCLDMTQVOQSHKP-UHFFFAOYSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2828
Molecular Weight 403.365 g/mol
SMILES Nc1c(C(O)[n]2ncc3c2ccc(c3)C(F)(F)F)c([nH]n1)-c1ccc(cc1)OC
SPLASH splash10-014i-5947200000-2ea845de3af0fd9793ed
Source of Spectrum Y-54-2374-10b
Wiley ID 1878452