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6-(4'-Cyanophenyl)-2,6,7,8,9,10-hexahydropyrrolo[3',4': 2,3]azepino[4,5,6-cd]indole-8,10-dione

View entire compound with spectra: 1 MS (GC)

6-(4'-Cyanophenyl)-2,6,7,8,9,10-hexahydropyrrolo[3',4': 2,3]azepino[4,5,6-cd]indole-8,10-dione
SpectraBase Compound ID 2HR3qSm6nko
InChI InChI=1S/C20H12N4O2/c21-8-10-4-6-11(7-5-10)17-12-2-1-3-14-15(12)13(9-22-14)16-18(23-17)20(26)24-19(16)25/h1-7,9,17,22-23H,(H,24,25,26)
InChIKey LUYCXKDCVITEOP-UHFFFAOYSA-N
Mol Weight 340.34 g/mol
Molecular Formula C20H12N4O2
Exact Mass 340.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tsqwvKH5EA
Name 6-(4'-Cyanophenyl)-2,6,7,8,9,10-hexahydropyrrolo[3',4': 2,3]azepino[4,5,6-cd]indole-8,10-dione
Alternate Name(s) 4-(8,10-dioxo-2,6,7,8,9,10-hexahydropyrrolo[3',4':6,7]azepino[5,4,3-cd]indol-6-yl)benzonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12N4O2
InChI InChI=1S/C20H12N4O2/c21-8-10-4-6-11(7-5-10)17-12-2-1-3-14-15(12)13(9-22-14)16-18(23-17)20(26)24-19(16)25/h1-7,9,17,22-23H,(H,24,25,26)
InChIKey LUYCXKDCVITEOP-UHFFFAOYSA-N
Molecular Weight 340.342 g/mol
SMILES N1C(c2c3c(C=4C(NC(C14)=O)=O)c[nH]c3ccc2)c1ccc(C#N)cc1
SPLASH splash10-000f-0059000000-11f68b6a93769bf03bb9
Source of Spectrum Y-37-1181-10
Wiley ID 762948