| SpectraBase Spectrum ID |
7kgGRbKcvDG |
| Name |
[(1R,3S,3ar,8bs)-1-(4-Methoxyphenyl)-3A-methyl-2,3,4,8B-tetrahydro-1H-cyclopenta[B]indol-3-yl]-phenyl-methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.188529047 u |
| Formula |
C26H25NO2 |
| InChI |
InChI=1S/C26H25NO2/c1-26-22(25(28)18-8-4-3-5-9-18)16-21(17-12-14-19(29-2)15-13-17)24(26)20-10-6-7-11-23(20)27-26/h3-15,21-22,24,27H,16H2,1-2H3/t21-,22+,24+,26-/m0/s1 |
| InChIKey |
FAMOWBSRDXBEGS-UBRJVWORSA-N |
| Molecular Weight |
383.491 g/mol |
| SMILES |
[C@]12([C@](C[C@]([C@]2(C=2C=CC=CC2N1)[H])(C1=CC=C(C=C1)OC)[H])(C(=O)C=1C=CC=CC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932098 |
![[(1R,3S,3aR,8bS)-1-(4-methoxyphenyl)-3a-methyl-2,3,4,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]-phenyl-methanone](/api/spectrum/7kgGRbKcvDG/structure.png?h=300&w=458 "[(1R,3S,3aR,8bS)-1-(4-methoxyphenyl)-3a-methyl-2,3,4,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]-phenyl-methanone")
