| SpectraBase Spectrum ID |
6IuFHgOd5Dw |
| Name |
phe-phe, N-Ethoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.184171940 u |
| Formula |
C22H26N2O5 |
| InChI |
InChI=1S/C22H26N2O5/c1-3-29-22(27)24-18(14-16-10-6-4-7-11-16)20(25)23-19(21(26)28-2)15-17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3,(H,23,25)(H,24,27) |
| InChIKey |
IKRYMHXPYVRWRV-UHFFFAOYSA-N |
| Molecular Weight |
398.459 g/mol |
| SMILES |
C1=CC=CC(=C1)CC(C(OC)=O)NC(C(CC1=CC=CC=C1)NC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891233 |
