| SpectraBase Spectrum ID |
3Am6TocMPhG |
| Name |
(2S)-2-(Carbethoxyamino)-5,5-diphenyl-pent-4-enoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.162708221 u |
| Formula |
C21H23NO4 |
| InChI |
InChI=1S/C21H23NO4/c1-3-26-21(24)22-19(20(23)25-2)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,19H,3,15H2,1-2H3,(H,22,24)/t19-/m0/s1 |
| InChIKey |
MGKWODPMDNZXQX-IBGZPJMESA-N |
| Molecular Weight |
353.418 g/mol |
| SMILES |
C(=CC[C@](NC(=O)OCC)(C(=O)OC)[H])(C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919141 |
