| SpectraBase Spectrum ID |
8qk8sINKVwe |
| Name |
2-oxo-3A-[3,4-(Dimethoxy)phenyl]-6-hydroxy-2,3,3A,4,5,6,7,7A-octahydroindole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.147058156 u |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-20-12-4-3-10(7-13(12)21-2)16-6-5-11(18)8-14(16)17-15(19)9-16/h3-4,7,11,14,18H,5-6,8-9H2,1-2H3,(H,17,19) |
| InChIKey |
WSZCTJQXMHSVAG-UHFFFAOYSA-N |
| SMILES |
C12(C(NC(C2)=O)CC(CC1)O)C=1C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950844 |
![2-Oxo-3a-[3,4-(dimethoxy)phenyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole](/api/spectrum/8qk8sINKVwe/structure.png?h=300&w=458 "2-Oxo-3a-[3,4-(dimethoxy)phenyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole")
