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1-(2-Nitrobenzoyl)-5-(3-pyridinyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID 1f3vQGBcD39
InChI InChI=1S/C16H11F3N4O4/c17-16(18,19)13-8-15(25,10-4-3-7-20-9-10)22(21-13)14(24)11-5-1-2-6-12(11)23(26)27/h1-7,9,25H,8H2
InChIKey NHKJREQESKCBEP-UHFFFAOYSA-N
Mol Weight 380.28 g/mol
Molecular Formula C16H11F3N4O4
Exact Mass 380.073239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kgsedv7E58c
Name 1-(2-Nitrobenzoyl)-5-(3-pyridinyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CAS Registry Number 311789-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F3N4O4
InChI InChI=1S/C16H11F3N4O4/c17-16(18,19)13-8-15(25,10-4-3-7-20-9-10)22(21-13)14(24)11-5-1-2-6-12(11)23(26)27/h1-7,9,25H,8H2
InChIKey NHKJREQESKCBEP-UHFFFAOYSA-N
Molecular Weight 380.283 g/mol
SMILES OC1(N(N=C(C(F)(F)F)C1)C(c1c(N(=O)=O)cccc1)=O)c1cnccc1
SPLASH splash10-0udi-9600000000-0048352eeeb5b7198fd2
Source of Spectrum AD-0-2532-0
Synonyms (2-nitrophenyl)-[5-oxidanyl-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone 2-Pyrazolin-5-ol, 3-trifluoromethyl-1-(2-nitrobenzoyl)-5-(3-pyridyl)- [5-hydroxy-5-(3-pyridinyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone [5-hydroxy-5-(3-pyridyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-nitrophenyl)methanone [5-hydroxy-5-(3-pyridyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone [5-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone
Wiley ID 1425880