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1H-Imidazole-4-carbaldehyde
SpectraBase Compound ID 2gMTw3saXKq
InChI InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)
InChIKey ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Mol Weight 96.09 g/mol
Molecular Formula C4H4N2O
Exact Mass 96.032363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXBYiMg10UX
Name 1H-Imidazole-4-carboxaldehyde
Alternate Name(s) 1H-imidazole-4(5)-carboxaldehyde 1H-Imidazole-4-carbaldehyde 1H-imidazole-5-carbaldehyde Imidazole-4-carboxaldehyde 1H-imidazole-5-carboxaldehyde 4(5)-imidazolecarboxaldehyde 4-Formylimidazole Imidazole-4(1H)-carboxaldehyde EINECS 221-227-3
CAS Registry Number 3034-50-2
Comments Less than 3 mono-isotopic peaks
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Formula C4H4N2O
InChI InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)
InChIKey ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Molecular Weight 96.089 g/mol
SMILES [nH]1cnc(c1)C=O
SPLASH splash10-0002-9000000000-842a09fa8a97a0c212bc
Source of Spectrum J-52-2721-7
Wiley ID 1118057