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

*Links on SpectraBase are not permalinks.
[1-Phenyl-3-methyl-5-(trifluoromethyl)pyrazol-4-yl]glycine
SpectraBase Compound ID XNRC9bbWZL
InChI InChI=1S/C13H12F3N3O2/c1-7-9(10(17)12(20)21)11(13(14,15)16)19(18-7)8-5-3-2-4-6-8/h2-6,10H,17H2,1H3,(H,20,21)
InChIKey IJKFSRWMOIGYHC-UHFFFAOYSA-N
Mol Weight 299.25 g/mol
Molecular Formula C13H12F3N3O2
Exact Mass 299.088161 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 8Jlo9uD7T10
Name [1-Phenyl-3-methyl-5-(trifluoromethyl)pyrazol-4-yl]glycine
Alternate Name(s) amino[3-methyl-1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3N3O2
InChI InChI=1S/C13H12F3N3O2/c1-7-9(10(17)12(20)21)11(13(14,15)16)19(18-7)8-5-3-2-4-6-8/h2-6,10H,17H2,1H3,(H,20,21)
InChIKey IJKFSRWMOIGYHC-UHFFFAOYSA-N
Molecular Weight 299.253 g/mol
SMILES OC(C(c1c([n](nc1C)-c1ccccc1)C(F)(F)F)N)=O
SPLASH splash10-0udi-0090000000-d33296f9be85d0b18a2f
Source of Spectrum F7-15-55-7
Wiley ID 1556851