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(E)-3-[1-(3-ketobutyl)imidazol-4-yl]acrylic acid
SpectraBase Compound ID HJDGXZiFPkB
InChI InChI=1S/C10H12N2O3/c1-8(13)4-5-12-6-9(11-7-12)2-3-10(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)/b3-2+
InChIKey KXSNGCSWZMTVAS-NSCUHMNNSA-N
Mol Weight 208.22 g/mol
Molecular Formula C10H12N2O3
Exact Mass 208.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5X1ljHOL4MG
Name (E)-3-[1-(3-ketobutyl)imidazol-4-yl]acrylic acid
CAS Registry Number 117082-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2O3
InChI InChI=1S/C10H12N2O3/c1-8(13)4-5-12-6-9(11-7-12)2-3-10(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)/b3-2+
InChIKey KXSNGCSWZMTVAS-NSCUHMNNSA-N
Molecular Weight 208.217 g/mol
SMILES OC(\C=C\c1nc[n](CCC(=O)C)c1)=O
SPLASH splash10-0ab9-9300000000-9920ec3b0876b818330d
Source of Spectrum Y-25-1038-3
Synonyms (E)-3-[1-(3-oxidanylidenebutyl)imidazol-4-yl]prop-2-enoic acid (E)-3-[1-(3-oxobutyl)-4-imidazolyl]-2-propenoic acid (E)-3-[1-(3-oxobutyl)imidazol-4-yl]prop-2-enoic acid
Wiley ID 1206427