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

*Links on SpectraBase are not permalinks.
1H-Pyrazole-4-carboxylic acid, 3-amino-1-isobutyryl-5-phenyl-, ethyl ester
SpectraBase Compound ID IHtj8qYjoeb
InChI InChI=1S/C16H19N3O3/c1-4-22-16(21)12-13(11-8-6-5-7-9-11)19(18-14(12)17)15(20)10(2)3/h5-10H,4H2,1-3H3,(H2,17,18)
InChIKey SJNHPVYRIWRBDY-UHFFFAOYSA-N
Mol Weight 301.35 g/mol
Molecular Formula C16H19N3O3
Exact Mass 301.142641 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 20Y7zAZRrZ
Name 1H-Pyrazole-4-carboxylic acid, 3-amino-1-isobutyryl-5-phenyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O3
InChI InChI=1S/C16H19N3O3/c1-4-22-16(21)12-13(11-8-6-5-7-9-11)19(18-14(12)17)15(20)10(2)3/h5-10H,4H2,1-3H3,(H2,17,18)
InChIKey SJNHPVYRIWRBDY-UHFFFAOYSA-N
Molecular Weight 301.346 g/mol
SMILES Nc1n[n](c(c1C(=O)OCC)-c1ccccc1)C(=O)C(C)C
SPLASH splash10-0040-3951000000-e21b038a0e33d0b0e7e7
Synonyms 3-Amino-1-(2-methyl-1-oxopropyl)-5-phenyl-4-pyrazolecarboxylic acid ethyl ester 3-Amino-1-isobutyryl-5-phenyl-pyrazole-4-carboxylic acid ethyl ester Ethyl 3-amino-1-(2-methylpropanoyl)-5-phenyl-pyrazole-4-carboxylate Ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate Ethyl 3-azanyl-1-(2-methylpropanoyl)-5-phenyl-pyrazole-4-carboxylate
Wiley ID 1441480