| SpectraBase Spectrum ID |
C1rt4Nd1XrP |
| Name |
.beta.-Alanine, N-(isopropyloxycarbonyl)-, 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/c1-6(2)13-8(11)9-5-4-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11) |
| InChIKey |
DBXXLKJYWJTVLX-UHFFFAOYSA-N |
| Molecular Weight |
189.211 g/mol |
| SMILES |
C(NC(OC(C)C)=O)CC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928444 |
