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1-Carboxymethyl-5-trifluoromethyl-5-hydroxy-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID BojedTNGAXf
InChI InChI=1S/C12H10BrF3N2O3/c1-21-10(19)18-11(20,12(14,15)16)6-9(17-18)7-2-4-8(13)5-3-7/h2-5,20H,6H2,1H3
InChIKey SBMBDOMQBVOUEZ-UHFFFAOYSA-N
Mol Weight 367.12 g/mol
Molecular Formula C12H10BrF3N2O3
Exact Mass 365.98269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpRccCkFRiT
Name 1-Carboxymethyl-5-trifluoromethyl-5-hydroxy-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10BrF3N2O3
InChI InChI=1S/C12H10BrF3N2O3/c1-21-10(19)18-11(20,12(14,15)16)6-9(17-18)7-2-4-8(13)5-3-7/h2-5,20H,6H2,1H3
InChIKey SBMBDOMQBVOUEZ-UHFFFAOYSA-N
Molecular Weight 367.122 g/mol
SMILES OC1(N(N=C(c2ccc(cc2)Br)C1)C(=O)OC)C(F)(F)F
SPLASH splash10-00kb-0097000000-cdeda3874f3f2ac9cc2d
Source of Spectrum Y-47-307-3k
Synonyms 3-(4-Bromo-phenyl)-5-hydroxy-5-trifluoromethyl-4,5-dihydro-pyrazole-1-carboxylic acid methyl ester 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid methyl ester Methyl 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Methyl 3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
Wiley ID 1667084