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Pyrrolo[3,4-h]hexahydro-1H-(1,50-benzodioxepine
SpectraBase Compound ID LBFNppNUBg3
InChI InChI=1S/C23H21N3O2/c27-22-19-20(15-9-3-1-4-10-15)24-17-13-7-8-14-18(17)25-21(19)23(28)26(22)16-11-5-2-6-12-16/h1-6,9-12,17-18,24H,7-8,13-14H2
InChIKey HGALKWQQJFHAEL-UHFFFAOYSA-N
Mol Weight 371.44 g/mol
Molecular Formula C23H21N3O2
Exact Mass 371.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALCvZMfL0EM
Name Pyrrolo[3,4-h]hexahydro-1H-(1,50-benzodioxepine
Alternate Name(s) N(1)-Phenyl-2,5-dioxopyrrolo[3,4-b]hexahydro-1H-1,5-benzodiazepine 2,10-Diphenyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[b]pyrrolo[3,4-e][1,4]diazepine-1,3-dione
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Formula C23H21N3O2
InChI InChI=1S/C23H21N3O2/c27-22-19-20(15-9-3-1-4-10-15)24-17-13-7-8-14-18(17)25-21(19)23(28)26(22)16-11-5-2-6-12-16/h1-6,9-12,17-18,24H,7-8,13-14H2
InChIKey HGALKWQQJFHAEL-UHFFFAOYSA-N
Molecular Weight 371.440 g/mol
SMILES N1C2CCCCC2N=C2C(=C1c1ccccc1)C(N(C2=O)c1ccccc1)=O
SPLASH splash10-00di-0039000000-5a1b47e871c82cca1a49
Source of Spectrum D1-2001-1955-8
Wiley ID 851214