| SpectraBase Spectrum ID |
AxpHRB5PEZK |
| Name |
1H-Pyrrol-2(5H)-one, 4-benzyloxycarbonylmethoxy-3-benzyloxycarbonylmethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.136887394 u |
| Formula |
C22H21NO6 |
| InChI |
InChI=1S/C22H21NO6/c24-20(28-13-16-7-3-1-4-8-16)11-18-19(12-23-22(18)26)27-15-21(25)29-14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,23,26) |
| InChIKey |
GVCTUNRDGIGDDR-UHFFFAOYSA-N |
| Molecular Weight |
395.411 g/mol |
| SMILES |
C1(=O)NCC(=C1CC(=O)OCC1=CC=CC=C1)OCC(OCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860172 |
