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(E)-3-[1-(1-methyl-3-oxo-butyl)imidazol-4-yl]prop-2-enoic acid
SpectraBase Compound ID JqggHByPApI
InChI InChI=1S/C11H14N2O3/c1-8(5-9(2)14)13-6-10(12-7-13)3-4-11(15)16/h3-4,6-8H,5H2,1-2H3,(H,15,16)/b4-3+
InChIKey BNRPNYBBXAMUTD-ONEGZZNKSA-N
Mol Weight 222.24 g/mol
Molecular Formula C11H14N2O3
Exact Mass 222.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uPUUTOMZce
Name (E)-3-[1-(1-methyl-3-oxo-butyl)imidazol-4-yl]prop-2-enoic acid
CAS Registry Number 117082-12-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O3
InChI InChI=1S/C11H14N2O3/c1-8(5-9(2)14)13-6-10(12-7-13)3-4-11(15)16/h3-4,6-8H,5H2,1-2H3,(H,15,16)/b4-3+
InChIKey BNRPNYBBXAMUTD-ONEGZZNKSA-N
Molecular Weight 222.244 g/mol
SMILES OC(\C=C\c1c[n](cn1)C(CC(=O)C)C)=O
SPLASH splash10-014l-9200000000-e7e90fd06653fc34eda5
Source of Spectrum Y-25-1038-3
Synonyms (E)-3-[1-(3-keto-1-methyl-butyl)imidazol-4-yl]acrylic acid (E)-3-[1-(4-oxidanylidenepentan-2-yl)imidazol-4-yl]prop-2-enoic acid (E)-3-[1-(4-oxopentan-2-yl)-4-imidazolyl]-2-propenoic acid (E)-3-[1-(4-oxopentan-2-yl)imidazol-4-yl]prop-2-enoic acid
Wiley ID 1222031