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5-Hydroxy-3-(2,2-dimethoxyethyl)-5-trifluoromethyl-4,5-dihydro-1H-1-nicotinoylpyrazole
SpectraBase Compound ID BmobKi8Iw7b
InChI InChI=1S/C14H16F3N3O4/c1-23-11(24-2)6-10-7-13(22,14(15,16)17)20(19-10)12(21)9-4-3-5-18-8-9/h3-5,8,11,22H,6-7H2,1-2H3
InChIKey XKRVBYWLSJFPQH-UHFFFAOYSA-N
Mol Weight 347.29 g/mol
Molecular Formula C14H16F3N3O4
Exact Mass 347.10929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCemfprJmxw
Name 5-Hydroxy-3-(2,2-dimethoxyethyl)-5-trifluoromethyl-4,5-dihydro-1H-1-nicotinoylpyrazole
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16F3N3O4
InChI InChI=1S/C14H16F3N3O4/c1-23-11(24-2)6-10-7-13(22,14(15,16)17)20(19-10)12(21)9-4-3-5-18-8-9/h3-5,8,11,22H,6-7H2,1-2H3
InChIKey XKRVBYWLSJFPQH-UHFFFAOYSA-N
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.164
Molecular Weight 347.294 g/mol
SMILES OC1(CC(=NN1C(c1cnccc1)=O)CC(OC)OC)C(F)(F)F
SPLASH splash10-004i-9200000000-1e78f9e79afa32ddb787
Source of Spectrum ARK-2013-298-2c
Wiley ID 1853633