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

*Links on SpectraBase are not permalinks.
2-(4-bromophenyl)-4-(1,1-dimethyl-3-oxo-butyl)-5-methyl-4H-pyrazol-3-one
SpectraBase Compound ID JvUauDQt0um
InChI InChI=1S/C16H19BrN2O2/c1-10(20)9-16(3,4)14-11(2)18-19(15(14)21)13-7-5-12(17)6-8-13/h5-8,14H,9H2,1-4H3
InChIKey JHTCJDXLHKREJS-UHFFFAOYSA-N
Mol Weight 351.24 g/mol
Molecular Formula C16H19BrN2O2
Exact Mass 350.062991 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 8Y8waDgUFVk
Name 2-(4-bromophenyl)-4-(1,1-dimethyl-3-oxo-butyl)-5-methyl-4H-pyrazol-3-one
CAS Registry Number 108161-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrN2O2
InChI InChI=1S/C16H19BrN2O2/c1-10(20)9-16(3,4)14-11(2)18-19(15(14)21)13-7-5-12(17)6-8-13/h5-8,14H,9H2,1-4H3
InChIKey JHTCJDXLHKREJS-UHFFFAOYSA-N
Molecular Weight 351.244 g/mol
SMILES C1(N(N=C(C1C(CC(=O)C)(C)C)C)c1ccc(cc1)Br)=O
SPLASH splash10-0006-0092000000-a75630bc1a6a7f0092e2
Source of Spectrum Y-23-1161-4
Synonyms 2-(4-bromophenyl)-4-(3-keto-1,1-dimethyl-butyl)-5-methyl-2-pyrazolin-3-one 2-(4-bromophenyl)-5-methyl-4-(2-methyl-4-oxidanylidene-pentan-2-yl)-4H-pyrazol-3-one 2-(4-bromophenyl)-5-methyl-4-(2-methyl-4-oxopentan-2-yl)-4H-pyrazol-3-one
Wiley ID 1341754