| SpectraBase Spectrum ID |
7hfCxa6aOpM |
| Name |
.beta.-Alanine, N-(3-methoxy-3-oxopropyl)-N-phenyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.131408092 u |
| Formula |
C14H19NO4 |
| InChI |
InChI=1S/C14H19NO4/c1-18-13(16)8-10-15(11-9-14(17)19-2)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3 |
| InChIKey |
NQMXUYSFHRWLLV-UHFFFAOYSA-N |
| Molecular Weight |
265.309 g/mol |
| SMILES |
C(C(=O)OC)CN(CCC(=O)OC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979377 |
