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AB-005 azepane isomer
SpectraBase Compound ID 5SYk3P2XSLV
InChI InChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)16-10-8-9-13-24(5)14-16/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3
InChIKey VNSNHIFBQMRMRE-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C23H32N2O
Exact Mass 352.251464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69TuVbtjgI9
Name [1-(1-Methylazepan-3-yl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone
Alternate Name(s) (1-(1-methylazepan-3-yl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
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Formula C23H32N2O
InChI InChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)16-10-8-9-13-24(5)14-16/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3
InChIKey VNSNHIFBQMRMRE-UHFFFAOYSA-N
Molecular Weight 352.522 g/mol
SMILES C(=O)(C1C(C1(C)C)(C)C)c1c[n](c2ccccc12)C1CN(CCCC1)C
SPLASH splash10-03di-5911000000-5a2d40d95966bae383c7
Source of Spectrum Vadim Shevyrin, et al. Forensic Science International, V.226, 2013, P.62-73
Wiley ID 1816164