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(E)-3-(3-methyl-4-imidazolyl)-2-propenoic acid
SpectraBase Compound ID 87kMKcPRPx5
InChI InChI=1S/C7H8N2O2/c1-9-5-8-4-6(9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/b3-2+
InChIKey NMRLUTUNCWBWCC-NSCUHMNNSA-N
Mol Weight 152.15 g/mol
Molecular Formula C7H8N2O2
Exact Mass 152.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGEwNZa4BwN
Name (E)-3-(3-methyl-4-imidazolyl)-2-propenoic acid
Alternate Name(s) (E)-3-(3-methylimidazol-4-yl)acrylic acid (E)-3-(3-methylimidazol-4-yl)prop-2-enoic acid
CAS Registry Number 70346-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N2O2
InChI InChI=1S/C7H8N2O2/c1-9-5-8-4-6(9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/b3-2+
InChIKey NMRLUTUNCWBWCC-NSCUHMNNSA-N
Molecular Weight 152.153 g/mol
SMILES OC(\C=C\c1[n](cnc1)C)=O
SPLASH splash10-0udi-2900000000-36a8f9cf072dc66fd2a7
Source of Spectrum B-34-1743-0
Wiley ID 1148575