| SpectraBase Spectrum ID |
5TOHR9zzfvw |
| Name |
Methyl 5,6,7,7A-tetrahydro-7A-.beta.-styryl-4H-indole-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.141578854 u |
| Formula |
C18H19NO2 |
| InChI |
InChI=1S/C18H19NO2/c1-21-17(20)16-13-15-9-5-6-11-18(15,19-16)12-10-14-7-3-2-4-8-14/h2-4,7-8,10,12-13H,5-6,9,11H2,1H3/b12-10+/t18-/m1/s1 |
| InChIKey |
RQGBUYMVRYBWFS-NCUBBLFSSA-N |
| SMILES |
[C@@]12(N=C(C=C2CCCC1)C(=O)OC)\C=C\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815523 |
