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6H-1,3-Dioxolo[4,5-h]isoindolo[1,2-b][3]benzazepine-6-carboxaldehyde, 5,8,12b,13-tetrahydro-9,10-dimethoxy-8-oxo-, cis-(.+-.)-

View entire compound with spectra: 1 MS (GC)

6H-1,3-Dioxolo[4,5-h]isoindolo[1,2-b][3]benzazepine-6-carboxaldehyde, 5,8,12b,13-tetrahydro-9,10-dimethoxy-8-oxo-, cis-(.+-.)-
SpectraBase Compound ID C1FqHR1w8GN
InChI InChI=1S/C21H19NO6/c1-25-16-4-3-14-15-6-12-8-18-17(27-10-28-18)7-11(12)5-13(9-23)22(15)21(24)19(14)20(16)26-2/h3-4,7-9,13,15H,5-6,10H2,1-2H3/t13-,15-/m0/s1
InChIKey DOEFXSOGSLTGST-ZFWWWQNUSA-N
Mol Weight 381.38 g/mol
Molecular Formula C21H19NO6
Exact Mass 381.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nnPglnXuHA
Name 6H-1,3-Dioxolo[4,5-h]isoindolo[1,2-b][3]benzazepine-6-carboxaldehyde, 5,8,12b,13-tetrahydro-9,10-dimethoxy-8-oxo-, cis-(.+-.)-
CAS Registry Number 132628-87-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO6
InChI InChI=1S/C21H19NO6/c1-25-16-4-3-14-15-6-12-8-18-17(27-10-28-18)7-11(12)5-13(9-23)22(15)21(24)19(14)20(16)26-2/h3-4,7-9,13,15H,5-6,10H2,1-2H3/t13-,15-/m0/s1
InChIKey DOEFXSOGSLTGST-ZFWWWQNUSA-N
Molecular Weight 381.384 g/mol
SMILES c12C(N3[C@@](Cc4c(C[C@]3(c2ccc(c1OC)OC)[H])cc1c(OCO1)c4)(C=O)[H])=O
SPLASH splash10-0udi-0009000000-4ccfc6fbb8c3444862c0
Source of Spectrum KC-1990-2935-34
Synonyms (6S,12bS)-5,6,12b,13-tetrahydro-9,10-dimethoxy-8,oxo-8H-1,3-dioxolo[4,5-h]isoindolo[1,2-b][3]-benzazepine-6-carbaldehyde (7S,14aS)-3,4-dimethoxy-5-oxo-7,8,14,14a-tetrahydro-5H-[1,3]dioxolo[4,5-h]isoindolo[1,2-b][3]benzazepine-7-carbaldehyde
Wiley ID 1360187