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3-(1H-imidazol-2-yl)propanoic acid ethyl ester
SpectraBase Compound ID Ftl34QosalZ
InChI InChI=1S/C8H12N2O2/c1-2-12-8(11)4-3-7-9-5-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey KQIXNQRMDCPWIH-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cEiYyN8J6m
Name 3-(1H-imidazol-2-yl)propanoic acid ethyl ester
CAS Registry Number 172499-76-2
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820812
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c1-2-12-8(11)4-3-7-9-5-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey KQIXNQRMDCPWIH-UHFFFAOYSA-N
Molecular Weight 168.196 g/mol
SMILES [nH]1ccnc1CCC(=O)OCC
SPLASH splash10-00or-9000000000-f7dd4dfbf84bfdeaa197
Synonyms 3-(1H-imidazol-2-yl)propionic acid ethyl ester Ethyl 3-(1H-imidazol-2-yl)propanoate
Wiley ID 1472208