| SpectraBase Spectrum ID |
ErSmOx7XUYb |
| Name |
.beta.-Alanine, N-benzyloxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.147058156 u |
| Formula |
C15H21NO4 |
| InChI |
InChI=1S/C15H21NO4/c1-12(2)10-19-14(17)8-9-16-15(18)20-11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,18) |
| InChIKey |
OYYFZRCKKVHIQU-UHFFFAOYSA-N |
| Molecular Weight |
279.336 g/mol |
| SMILES |
C1(=CC=CC=C1)COC(NCCC(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858516 |
