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

*Links on SpectraBase are not permalinks.
3-(4-Bromophenyl)-5-hydroxy-5-trifluoromethyl-4,5-dihydro-1H-1-(2-hydroxybenzoyl) pyrazole
SpectraBase Compound ID 2crsA4nfWOg
InChI InChI=1S/C17H12BrF3N2O3/c18-11-7-5-10(6-8-11)13-9-16(26,17(19,20)21)23(22-13)15(25)12-3-1-2-4-14(12)24/h1-8,24,26H,9H2
InChIKey ILRNJSYWKDGDIJ-UHFFFAOYSA-N
Mol Weight 429.19 g/mol
Molecular Formula C17H12BrF3N2O3
Exact Mass 427.99834 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 KIK8JIInseG
Name 3-(4-Bromophenyl)-5-hydroxy-5-trifluoromethyl-4,5-dihydro-1H-1-(2-hydroxybenzoyl) pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12BrF3N2O3
InChI InChI=1S/C17H12BrF3N2O3/c18-11-7-5-10(6-8-11)13-9-16(26,17(19,20)21)23(22-13)15(25)12-3-1-2-4-14(12)24/h1-8,24,26H,9H2
InChIKey ILRNJSYWKDGDIJ-UHFFFAOYSA-N
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.g28
Molecular Weight 429.193 g/mol
SMILES Oc1c(C(N2N=C(CC2(O)C(F)(F)F)c2ccc(cc2)Br)=O)cccc1
SPLASH splash10-05to-9773100000-22b2bada08144246383f
Source of Spectrum ARK-2007-294-7d
Wiley ID 1869015