| SpectraBase Spectrum ID |
5kWwlu2VRgN |
| Name |
N-Benzyl-N-(N-propyloxycarbonyl)-2-methyl-.beta.-alanine, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.162708221 u |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-4-10-21-16(19)17(11-13(2)15(18)20-3)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3 |
| InChIKey |
QPFGJRPBWUZMKN-UHFFFAOYSA-N |
| SMILES |
C1=CC=C(C=C1)CN(CC(C(OC)=O)C)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922636 |
