| SpectraBase Spectrum ID |
5e52rPN7jyY |
| Name |
L-Alanine, N-allyloxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.131408092 u |
| Formula |
C11H19NO4 |
| InChI |
InChI=1S/C11H19NO4/c1-5-6-15-11(14)12-9(4)10(13)16-7-8(2)3/h5,8-9H,1,6-7H2,2-4H3,(H,12,14) |
| InChIKey |
QYQZWMMDUTWMAJ-UHFFFAOYSA-N |
| Molecular Weight |
229.276 g/mol |
| SMILES |
C=CCOC(NC(C(OCC(C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806561 |
