| SpectraBase Spectrum ID |
DXSsXozrkaB |
| Name |
(S)-3-Aminobutyric acid, N-(ethoxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
189.100107963 u |
| Formula |
C8H15NO4 |
| InChI |
InChI=1S/C8H15NO4/c1-4-13-8(11)9-6(2)5-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m0/s1 |
| InChIKey |
AXFVKVXHZDQMGP-LURJTMIESA-N |
| Molecular Weight |
189.211 g/mol |
| SMILES |
C([C@](C)(NC(OCC)=O)[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976649 |
