| SpectraBase Spectrum ID |
HGUTs6W2EuQ |
| Name |
L-3-Aminoisobutyric 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)9-5-6(2)7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m1/s1 |
| InChIKey |
XQTCUDPJTFLHIY-ZCFIWIBFSA-N |
| Molecular Weight |
189.211 g/mol |
| SMILES |
C(NC(OCC)=O)[C@@](C)(C(OC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955424 |
