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Allophanic acid, butanoyl-, phenyl ester
SpectraBase Compound ID 7WORoCNonJN
InChI InChI=1S/C11H12N2O4/c1-2-9(14)12-10(15)13-11(16)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKey WJWRGIMEMCSACO-UHFFFAOYSA-N
Mol Weight 236.23 g/mol
Molecular Formula C11H12N2O4
Exact Mass 236.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PqiXWyu1sX
Name Allophanic acid, butanoyl-, phenyl ester
Alternate Name(s) N-(propionylcarbamoyl)carbamic acid phenyl ester N-[oxo-(1-oxopropylamino)methyl]carbamic acid phenyl ester Phenyl (propionylamino)carbonylcarbamate phenyl N-(propanoylcarbamoyl)carbamate
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Formula C11H12N2O4
InChI InChI=1S/C11H12N2O4/c1-2-9(14)12-10(15)13-11(16)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKey WJWRGIMEMCSACO-UHFFFAOYSA-N
Molecular Weight 236.227 g/mol
SMILES N(C(NC(CC)=O)=O)C(=O)Oc1ccccc1
SPLASH splash10-0006-9000000000-968bcf93a9da4d3fc8d9
Wiley ID 1491313