| SpectraBase Spectrum ID |
G5vcNMkIp9C |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.178358285 u |
| Formula |
C13H25NO4 |
| InChI |
InChI=1S/C13H25NO4/c1-10(2)8-17-11(15)6-7-14-12(16)18-9-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,16) |
| InChIKey |
PBBNRXKIUWRTAX-UHFFFAOYSA-N |
| Molecular Weight |
259.346 g/mol |
| SMILES |
CC(COC(NCCC(OCC(C)C)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883205 |
