| SpectraBase Spectrum ID |
DLP484lBWGf |
| Name |
Benzoic acid, 4-[[1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]ami no]-, ethyl ester, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.152871811 u |
| Formula |
C20H22N2O5 |
| InChI |
InChI=1S/C20H22N2O5/c1-3-26-19(24)16-9-11-17(12-10-16)22-18(23)14(2)21-20(25)27-13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,21,25)(H,22,23)/t14-/m0/s1 |
| InChIKey |
MNXCXHGHRVWUPY-AWEZNQCLSA-N |
| Molecular Weight |
370.405 g/mol |
| SMILES |
C(NC=1C=CC(C(=O)OCC)=CC1)([C@@](NC(=O)OCC=1C=CC=CC1)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952219 |
![Benzoic acid, 4-[[1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]ami no]-, ethyl ester, (S)-](/api/spectrum/DLP484lBWGf/structure.png?h=300&w=458 "Benzoic acid, 4-[[1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]ami no]-, ethyl ester, (S)-")
