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

*Links on SpectraBase are not permalinks.
1H-Pyrazole-1-acetic acid, 4-[(2-iodobenzoyl)amino]-3,5-dimethyl-, ethyl ester
SpectraBase Compound ID JXGT8qkTe7f
InChI InChI=1S/C16H18IN3O3/c1-4-23-14(21)9-20-11(3)15(10(2)19-20)18-16(22)12-7-5-6-8-13(12)17/h5-8H,4,9H2,1-3H3,(H,18,22)
InChIKey JWDRDIWDAIPNCC-UHFFFAOYSA-N
Mol Weight 427.24 g/mol
Molecular Formula C16H18IN3O3
Exact Mass 427.039286 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 Bdq8eK1npH8
Name 1H-Pyrazole-1-acetic acid, 4-[(2-iodobenzoyl)amino]-3,5-dimethyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18IN3O3
InChI InChI=1S/C16H18IN3O3/c1-4-23-14(21)9-20-11(3)15(10(2)19-20)18-16(22)12-7-5-6-8-13(12)17/h5-8H,4,9H2,1-3H3,(H,18,22)
InChIKey JWDRDIWDAIPNCC-UHFFFAOYSA-N
Molecular Weight 427.242 g/mol
SMILES N(c1c([n](nc1C)CC(=O)OCC)C)C(c1c(I)cccc1)=O
SPLASH splash10-003s-8961200000-178774e7cca1ce0a2c3e
Source of Spectrum IY-1-4464-0
Synonyms 2-[4-[[(2-iodophenyl)-oxomethyl]amino]-3,5-dimethyl-1-pyrazolyl]acetic acid ethyl ester Ethyl 2-[4-[(2-iodobenzoyl)amino]-3,5-dimethylpyrazol-1-yl]acetate Ethyl 2-[4-[(2-iodobenzoyl)amino]-3,5-dimethyl-pyrazol-1-yl]acetate Ethyl 2-[4-[(2-iodanylphenyl)carbonylamino]-3,5-dimethyl-pyrazol-1-yl]ethanoate
Wiley ID 1652623