| SpectraBase Spectrum ID |
Ak4Tuj43FCQ |
| Name |
Benzyl 3-aminopropanoate, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-10(14)13-8-7-12(15)16-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,13,14) |
| InChIKey |
WHBJMJBUTZUEFF-UHFFFAOYSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C(NC(C)=O)CC(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969175 |
