| SpectraBase Spectrum ID |
JvHze7yZVcG |
| Name |
phe-phe, N-Ethoxycarbonyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.199822005 u |
| Formula |
C23H28N2O5 |
| InChI |
InChI=1S/C23H28N2O5/c1-3-29-22(27)20(16-18-13-9-6-10-14-18)24-21(26)19(25-23(28)30-4-2)15-17-11-7-5-8-12-17/h5-14,19-20H,3-4,15-16H2,1-2H3,(H,24,26)(H,25,28) |
| InChIKey |
KOGWWVBLULCULE-UHFFFAOYSA-N |
| Molecular Weight |
412.486 g/mol |
| SMILES |
C1=CC=CC(=C1)CC(C(OCC)=O)NC(C(CC1=CC=CC=C1)NC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955795 |
