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(2E)-3-(1H-Imidazol-2-yl)acrylic acid
SpectraBase Compound ID LrMdJACQiQR
InChI InChI=1S/C6H6N2O2/c9-6(10)2-1-5-7-3-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey BLNMENZGNYPNEL-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 I0lyEalJ9Wt
Name (2E)-3-(1H-Imidazol-2-yl)acrylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C6H6N2O2
InChI InChI=1S/C6H6N2O2/c9-6(10)2-1-5-7-3-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey BLNMENZGNYPNEL-OWOJBTEDSA-N
Molecular Weight 138.126 g/mol
SMILES [nH]1ccnc1\C=C\C(=O)O
SPLASH splash10-0006-9400000000-9c4c0bcd724702e33d1b
Source of Spectrum F2-46-1493-16
Synonyms (E)-3-(1H-imidazol-2-yl)-2-propenoic acid (E)-3-(1H-imidazol-2-yl)prop-2-enoic acid
Wiley ID 1689551