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(E)-3-[1-(2-methyl-4-oxopentan-2-yl)-4-imidazolyl]-2-propenoic acid methyl ester
SpectraBase Compound ID DLY5BvXXgRq
InChI InChI=1S/C13H18N2O3/c1-10(16)7-13(2,3)15-8-11(14-9-15)5-6-12(17)18-4/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKey HLBMERXZGDTTIR-AATRIKPKSA-N
Mol Weight 250.3 g/mol
Molecular Formula C13H18N2O3
Exact Mass 250.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pdUmPPqPRf
Name (E)-3-[1-(2-methyl-4-oxopentan-2-yl)-4-imidazolyl]-2-propenoic acid methyl ester
CAS Registry Number 117082-16-3
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Formula C13H18N2O3
InChI InChI=1S/C13H18N2O3/c1-10(16)7-13(2,3)15-8-11(14-9-15)5-6-12(17)18-4/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKey HLBMERXZGDTTIR-AATRIKPKSA-N
Molecular Weight 250.298 g/mol
SMILES c1[n](cc(n1)\C=C\C(=O)OC)C(CC(=O)C)(C)C
SPLASH splash10-0udl-8940000000-a4730778a53660292413
Source of Spectrum Y-25-1038-6
Synonyms (E)-3-[1-(3-keto-1,1-dimethyl-butyl)imidazol-4-yl]acrylic acid methyl ester Methyl (E)-3-[1-(1,1-dimethyl-3-oxo-butyl)imidazol-4-yl]prop-2-enoate Methyl (E)-3-[1-(2-methyl-4-oxidanylidene-pentan-2-yl)imidazol-4-yl]prop-2-enoate Methyl (E)-3-[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]prop-2-enoate
Wiley ID 1253166