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3-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propionic acid
SpectraBase Compound ID CwGTRiBQCTZ
InChI InChI=1S/C13H16N2O3/c1-9-8-12(16)14-10-4-2-3-5-11(10)15(9)7-6-13(17)18/h2-5,9H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKey RHKRPLJVRUOQRG-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIN4jYupQOZ
Name 3-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propionic acid
Alternate Name(s) 3-(4-Methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propanoic acid 3-(4-Methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propanoic acid Propionic acid, 3-(2-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]diazepin-1-yl)-
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Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-9-8-12(16)14-10-4-2-3-5-11(10)15(9)7-6-13(17)18/h2-5,9H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKey RHKRPLJVRUOQRG-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES N1C(CC(N(CCC(O)=O)c2ccccc12)C)=O
SPLASH splash10-0007-5930000000-ffc125bb1d3be8924647
Wiley ID 1436455