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

*Links on SpectraBase are not permalinks.
1H-Pyrazole-1-acetic acid, 4-[[2-(4-iodophenoxy)acetyl]amino]-3,5-dimethyl-, ethyl ester
SpectraBase Compound ID 8gSYv0wrSi0
InChI InChI=1S/C17H20IN3O4/c1-4-24-16(23)9-21-12(3)17(11(2)20-21)19-15(22)10-25-14-7-5-13(18)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,19,22)
InChIKey VWCZMIMYNBULGU-UHFFFAOYSA-N
Mol Weight 457.27 g/mol
Molecular Formula C17H20IN3O4
Exact Mass 457.049851 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 F1IP2g9d2kK
Name 1H-Pyrazole-1-acetic acid, 4-[[2-(4-iodophenoxy)acetyl]amino]-3,5-dimethyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20IN3O4
InChI InChI=1S/C17H20IN3O4/c1-4-24-16(23)9-21-12(3)17(11(2)20-21)19-15(22)10-25-14-7-5-13(18)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,19,22)
InChIKey VWCZMIMYNBULGU-UHFFFAOYSA-N
Molecular Weight 457.268 g/mol
SMILES N(c1c([n](nc1C)CC(=O)OCC)C)C(=O)COc1ccc(cc1)I
SPLASH splash10-0a4j-6921100000-3ce0c884c480f7545b95
Source of Spectrum IY-1-4479-5
Synonyms 2-[4-[[2-(4-iodophenoxy)-1-oxoethyl]amino]-3,5-dimethyl-1-pyrazolyl]acetic acid ethyl ester Ethyl 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3,5-dimethylpyrazol-1-yl]acetate Ethyl 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3,5-dimethyl-pyrazol-1-yl]acetate Ethyl 2-[4-[2-(4-iodanylphenoxy)ethanoylamino]-3,5-dimethyl-pyrazol-1-yl]ethanoate
Wiley ID 1652778