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4-CARBOXYETHYLENE-(TRANS)-IMIDAZOLE
SpectraBase Compound ID 1hKSNBbAujp
InChI InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey LOIYMIARKYCTBW-OWOJBTEDSA-N
Mol Weight 138.13 g/mol
Molecular Formula C6H6N2O2
Exact Mass 138.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gCTJwMAOu
Name 2-Propenoic acid, 3-(1H-imidazol-4-yl)-
Alternate Name(s) (E)-3-(1H-imidazol-5-yl)-2-propenoic acid (E)-3-(1H-imidazol-5-yl)acrylic acid (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid 3-(1H-Imidazol-4-yl)-2-propenoic acid 3-(3H-Imidazol-4-yl)-acrylic acid 3-Imidazol-4-ylacrylic acid 4-Imidazoleacrylic acid 5-Imidazoleacrylic acid Imidazole-4-acrylic acid Imidazoleacrylic acid Urocanate Urocanic acid Urocaninic acid BRN 0081405 CCRIS 3414 EINECS 203-258-4 NSC 66357
CAS Registry Number 104-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N2O2
InChI InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey LOIYMIARKYCTBW-OWOJBTEDSA-N
Molecular Weight 138.126 g/mol
SMILES [nH]1cc(\C=C\C(=O)O)nc1
SPLASH splash10-000f-9100000000-955a932d61122091b458
Source of Spectrum AD-0-2532-0
Wiley ID 1429942