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

*Links on SpectraBase are not permalinks.
4-[(4-Iodo-2-methyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid ethyl ester
SpectraBase Compound ID KcUO3iWBqG7
InChI InChI=1S/C14H14IN3O3/c1-3-21-14(20)9-4-6-10(7-5-9)17-13(19)12-11(15)8-16-18(12)2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKey XWMWHNGYJSYKCL-UHFFFAOYSA-N
Mol Weight 399.19 g/mol
Molecular Formula C14H14IN3O3
Exact Mass 399.007986 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 JHi9kZEHhD2
Name 4-[(4-Iodo-2-methyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14IN3O3
InChI InChI=1S/C14H14IN3O3/c1-3-21-14(20)9-4-6-10(7-5-9)17-13(19)12-11(15)8-16-18(12)2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKey XWMWHNGYJSYKCL-UHFFFAOYSA-N
Molecular Weight 399.188 g/mol
SMILES N(C(c1c(cn[n]1C)I)=O)c1ccc(C(OCC)=O)cc1
SPLASH splash10-0f79-9680000000-c87fb1e7f7bf1f10801c
Synonyms 4-[(4-iodo-2-methyl-pyrazole-3-carbonyl)amino]benzoic acid ethyl ester 4-[[(4-iodo-2-methyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid ethyl ester Ethyl 4-([(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino)benzoate Ethyl 4-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylamino]benzoate Ethyl 4-[(4-iodo-2-methyl-pyrazole-3-carbonyl)amino]benzoate
Wiley ID 1459306