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ethyl 3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
SpectraBase Compound ID IgX2jR3nuuM
InChI InChI=1S/C13H21F3N2O3/c1-3-5-6-7-8-10-9-12(20,13(14,15)16)18(17-10)11(19)21-4-2/h20H,3-9H2,1-2H3
InChIKey YNNYCZXAXMRRPR-UHFFFAOYSA-N
Mol Weight 310.32 g/mol
Molecular Formula C13H21F3N2O3
Exact Mass 310.150427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32lfUMMUxUX
Name 2-Pyrazoline-1-carboxylic acid, 5-trifluoromethyl-3-hexyl-5-hydroxy-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21F3N2O3
InChI InChI=1S/C13H21F3N2O3/c1-3-5-6-7-8-10-9-12(20,13(14,15)16)18(17-10)11(19)21-4-2/h20H,3-9H2,1-2H3
InChIKey YNNYCZXAXMRRPR-UHFFFAOYSA-N
Molecular Weight 310.317 g/mol
SMILES OC1(N(N=C(CCCCCC)C1)C(=O)OCC)C(F)(F)F
SPLASH splash10-00kf-3930000000-2225ccdba11df7695d5b
Source of Spectrum AD-0-2532-0
Synonyms 3-Hexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester 3-Hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester Ethyl 3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate Ethyl 3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Ethyl 3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
Wiley ID 1422135