| SpectraBase Spectrum ID |
K6nGUWMXxFl |
| Name |
(4as,13A1S)-11-hydroxy-12-methoxy-3,4,4A,5,8,9-hexahydro-1H-indolo[1-A]isoquinolin-6(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.152143537 u |
| Formula |
C17H21NO3 |
| InChI |
InChI=1S/C17H21NO3/c1-21-15-10-13-11(8-14(15)19)5-7-18-16(20)9-12-4-2-3-6-17(12,13)18/h8,10,12,19H,2-7,9H2,1H3/t12-,17-/m0/s1 |
| InChIKey |
SUWHCYJTRVPLEH-SJCJKPOMSA-N |
| SMILES |
C1CC[C@]2([H])[C@@]3(N(C(=O)C2)CCC2=CC(=C(C=C32)OC)O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854448 |
![(4aS,13a1S)-11-hydroxy-12-methoxy-3,4,4a,5,8,9-hexahydro-1H-indolo[1-a]isoquinolin-6(2H)-one](/api/spectrum/K6nGUWMXxFl/structure.png?h=300&w=458 "(4aS,13a1S)-11-hydroxy-12-methoxy-3,4,4a,5,8,9-hexahydro-1H-indolo[1-a]isoquinolin-6(2H)-one")
