| SpectraBase Spectrum ID |
B99qbWKH9Q3 |
| Name |
L-Alanine, N-butoxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.162708221 u |
| Formula |
C12H23NO4 |
| InChI |
InChI=1S/C12H23NO4/c1-5-6-7-16-12(15)13-10(4)11(14)17-8-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,15) |
| InChIKey |
BLTFZAFCBCVTIC-UHFFFAOYSA-N |
| Molecular Weight |
245.319 g/mol |
| SMILES |
CCCCOC(NC(C)C(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836094 |
