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(6aS)-2,5-dimethoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
SpectraBase Compound ID I2iFrAlNEc0
InChI InChI=1S/C21H22N2O5/c1-26-18-11-15-17(12-19(18)28-13-14-7-4-3-5-8-14)23(27-2)21(25)16-9-6-10-22(16)20(15)24/h3-5,7-8,11-12,16H,6,9-10,13H2,1-2H3/t16-/m0/s1
InChIKey QIJZZINLUOCFTG-INIZCTEOSA-N
Mol Weight 382.42 g/mol
Molecular Formula C21H22N2O5
Exact Mass 382.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OOXehd6lBj
Name (6aS)-2,5-dimethoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Alternate Name(s) (6aS)-3-benzoxy-2,5-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone (6aS)-3-benzyloxy-2,5-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
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Formula C21H22N2O5
InChI InChI=1S/C21H22N2O5/c1-26-18-11-15-17(12-19(18)28-13-14-7-4-3-5-8-14)23(27-2)21(25)16-9-6-10-22(16)20(15)24/h3-5,7-8,11-12,16H,6,9-10,13H2,1-2H3/t16-/m0/s1
InChIKey QIJZZINLUOCFTG-INIZCTEOSA-N
Molecular Weight 382.416 g/mol
SMILES C1(N(c2c(C(N3[C@]1(CCC3)[H])=O)cc(c(c2)OCc1ccccc1)OC)OC)=O
SPLASH splash10-0006-9000000000-e40239aa0e103d6448ad
Source of Spectrum F-70-2262-10
Wiley ID 1596503