| SpectraBase Spectrum ID |
GDAyxhIYax2 |
| Name |
2-Phenyl-2-cyclohexylacetanoic acid 2-(diethylamino)ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.235479240 u |
| Formula |
C20H31NO2 |
| InChI |
InChI=1S/C20H31NO2/c1-4-21(5-2)20(19(22)23-6-3,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7,9-10,13-14,18H,4-6,8,11-12,15-16H2,1-3H3 |
| InChIKey |
FJGZBIXRCRBOSB-UHFFFAOYSA-N |
| Molecular Weight |
317.473 g/mol |
| SMILES |
C(C(=O)OCC)(N(CC)CC)(C1=CC=CC=C1)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903152 |
