| SpectraBase Spectrum ID |
K5WEpptKYZf |
| Name |
5-Tert-butyl-2-(1-phenylethylamino)-1-cyclohexenecarboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.219829176 u |
| Formula |
C20H29NO2 |
| InChI |
InChI=1S/C20H29NO2/c1-14(15-9-7-6-8-10-15)21-18-12-11-16(20(2,3)4)13-17(18)19(22)23-5/h6-10,14,16,21H,11-13H2,1-5H3 |
| InChIKey |
RYBJRCFNKCFZPC-UHFFFAOYSA-N |
| Molecular Weight |
315.457 g/mol |
| SMILES |
C1(=C(CCC(C1)C(C)(C)C)NC(C)C=1C=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847717 |
