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1,2,3,11a-Tetrahydro-2-acetoxy-11-methylamino-5H-pyrrolo[2,1-c][1,4]diazepin-5-one
SpectraBase Compound ID 9EcfjfkrHqH
InChI InChI=1S/C15H17N3O3/c1-9(19)21-10-7-13-14(16-2)17-12-6-4-3-5-11(12)15(20)18(13)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/t10-,13+/m1/s1
InChIKey QDIYFUNDLAQTLC-MFKMUULPSA-N
Mol Weight 287.32 g/mol
Molecular Formula C15H17N3O3
Exact Mass 287.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeasYcLJiYn
Name 1,2,3,11a-Tetrahydro-2-acetoxy-11-methylamino-5H-pyrrolo[2,1-c][1,4]diazepin-5-one
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Formula C15H17N3O3
InChI InChI=1S/C15H17N3O3/c1-9(19)21-10-7-13-14(16-2)17-12-6-4-3-5-11(12)15(20)18(13)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/t10-,13+/m1/s1
InChIKey QDIYFUNDLAQTLC-MFKMUULPSA-N
Molecular Weight 287.319 g/mol
SMILES N(C1=Nc2c(C(N3[C@]1(C[C@](C3)(OC(=O)C)[H])[H])=O)cccc2)C
SPLASH splash10-000b-0790000000-e89bf42ec54ad42fa760
Source of Spectrum Y-34-1186-3
Synonyms Acetic acid (2R,11aS)-11-methylamino-5-oxo-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-2-yl ester Acetic acid [(6aS,8R)-6-(methylamino)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] ester [(6aS,8R)-6-(methylamino)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] acetate [(6aS,8R)-6-(methylamino)-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl] ethanoate
Wiley ID 1290759