For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Carboxymethyl-5-trifluoromethyl-5-hydroxy-3-(1-methylethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID BcHzjB465am
InChI InChI=1S/C9H13F3N2O3/c1-5(2)6-4-8(16,9(10,11)12)14(13-6)7(15)17-3/h5,16H,4H2,1-3H3
InChIKey YJAOVZBBCPPJHD-UHFFFAOYSA-N
Mol Weight 254.21 g/mol
Molecular Formula C9H13F3N2O3
Exact Mass 254.087827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5qClmvHExV1
Name 1-Carboxymethyl-5-trifluoromethyl-5-hydroxy-3-(1-methylethyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13F3N2O3
InChI InChI=1S/C9H13F3N2O3/c1-5(2)6-4-8(16,9(10,11)12)14(13-6)7(15)17-3/h5,16H,4H2,1-3H3
InChIKey YJAOVZBBCPPJHD-UHFFFAOYSA-N
Molecular Weight 254.209 g/mol
SMILES OC1(N(N=C(C(C)C)C1)C(=O)OC)C(F)(F)F
SPLASH splash10-0f79-0920000000-32be8c3bdffc78b17097
Source of Spectrum Y-47-304-3e
Synonyms 5-Hydroxy-3-isopropyl-5-trifluoromethyl-4,5-dihydro-pyrazole-1-carboxylic acid methyl ester 5-Hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid methyl ester Methyl 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Methyl 5-hydroxy-3-isopropyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Methyl 5-oxidanyl-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
Wiley ID 1667090