SpectraBase Spectrum ID |
4uWRV95jEkm |
Name |
((3as,7as)-7A-Phenyl-octahydro-indol-1-yl)-acetic acid ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
287.188529047 u |
Formula |
C18H25NO2 |
InChI |
InChI=1S/C18H25NO2/c1-2-21-17(20)14-19-13-11-16-10-6-7-12-18(16,19)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3/t16-,18+/m0/s1 |
InChIKey |
XUJRZJMOWMDZJJ-FUHWJXTLSA-N |
SMILES |
[C@@]12(N(CC[C@@]2(CCCC1)[H])CC(=O)OCC)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895926 |