| SpectraBase Spectrum ID |
HMvczZVI3e |
| Name |
(S)-3-Aminobutyric acid, N-methoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
175.084457899 u |
| Formula |
C7H13NO4 |
| InChI |
InChI=1S/C7H13NO4/c1-5(4-6(9)11-2)8-7(10)12-3/h5H,4H2,1-3H3,(H,8,10) |
| InChIKey |
SQEMIAJIDMEGQR-UHFFFAOYSA-N |
| Molecular Weight |
175.184 g/mol |
| SMILES |
C(C(C)NC(OC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983246 |
