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n-butyl (im)N-ethoxycarbonylurocanate
SpectraBase Compound ID GGzlNxJ4WBy
InChI InChI=1S/C13H18N2O4/c1-3-5-8-19-12(16)7-6-11-9-15(10-14-11)13(17)18-4-2/h6-7,9-10H,3-5,8H2,1-2H3/b7-6+
InChIKey AHMKBQXQJCMZKW-VOTSOKGWSA-N
Mol Weight 266.3 g/mol
Molecular Formula C13H18N2O4
Exact Mass 266.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fx9yyzkrpHC
Name n-butyl (im)N-ethoxycarbonylurocanate
Alternate Name(s) Ethyl 4-[(1E)-3-butoxy-3-oxo-1-propenyl]-1H-imidazole-1-carboxylate
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Formula C13H18N2O4
InChI InChI=1S/C13H18N2O4/c1-3-5-8-19-12(16)7-6-11-9-15(10-14-11)13(17)18-4-2/h6-7,9-10H,3-5,8H2,1-2H3/b7-6+
InChIKey AHMKBQXQJCMZKW-VOTSOKGWSA-N
Molecular Weight 266.297 g/mol
SMILES C([n]1cnc(c1)\C=C\C(=O)OCCCC)(=O)OCC
SPLASH splash10-00xu-5910000000-159a9c36e883fa227d09
Source of Spectrum JC-576-217-2
Wiley ID 1269727