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(4-Oxo-4,5-dihydro-1H-benzo[b][1,4]diazepin-2-yl)acetic acid, ethyl ester
SpectraBase Compound ID CFSxDi6KBeu
InChI InChI=1S/C13H14N2O3/c1-2-18-13(17)8-9-7-12(16)15-11-6-4-3-5-10(11)14-9/h3-7,14H,2,8H2,1H3,(H,15,16)
InChIKey NDGDBPDXUSFOML-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKFcc0BTNs9
Name (4-Oxo-4,5-dihydro-1H-benzo[b][1,4]diazepin-2-yl)acetic acid, ethyl ester
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Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-2-18-13(17)8-9-7-12(16)15-11-6-4-3-5-10(11)14-9/h3-7,14H,2,8H2,1H3,(H,15,16)
InChIKey NDGDBPDXUSFOML-UHFFFAOYSA-N
Molecular Weight 246.266 g/mol
SMILES N1c2c(NC(=CC1=O)CC(=O)OCC)cccc2
SPLASH splash10-0pba-5960000000-74f416e0d9e07eee0437
Synonyms 2-(2-keto-1,5-dihydro-1,5-benzodiazepin-4-yl)acetic acid ethyl ester 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetic acid ethyl ester Ethyl (4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate Ethyl 2-(2-oxidanylidene-1,5-dihydro-1,5-benzodiazepin-4-yl)ethanoate Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate
Wiley ID 1446762