| SpectraBase Spectrum ID |
ENPnS1IaLk9 |
| Name |
(3R,51S,7as,10Ar)-3-phenyl-2,3,51,6,7,7A,8,10A-octahydroazepino[3,2,1-hi]indol-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.162314299 u |
| Formula |
C18H21NO |
| InChI |
InChI=1S/C18H21NO/c20-18-16(13-5-2-1-3-6-13)10-9-14-7-4-8-15-11-12-19(18)17(14)15/h1-7,14-17H,8-12H2/t14-,15-,16+,17+/m0/s1 |
| InChIKey |
ICTHJDCFVKTGBM-MWDXBVQZSA-N |
| Molecular Weight |
267.372 g/mol |
| SMILES |
C1(=O)[C@](CC[C@@]2(C=CC[C@@]3([C@@]2(N1CC3)[H])[H])[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91719 |
![(3R,51S,7as,10Ar)-3-phenyl-2,3,51,6,7,7A,8,10A-octahydroazepino[3,2,1-hi]indol-4(1H)-one](/api/spectrum/ENPnS1IaLk9/structure.png?h=300&w=458 "(3R,51S,7as,10Ar)-3-phenyl-2,3,51,6,7,7A,8,10A-octahydroazepino[3,2,1-hi]indol-4(1H)-one")
