| SpectraBase Spectrum ID |
IRgNWnRS3wW |
| Name |
D-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/c1-9(2)7-17-11(15)10(3)14-12(16)18-8-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16) |
| InChIKey |
KPIPBWFYJRHDQT-UHFFFAOYSA-N |
| Molecular Weight |
259.346 g/mol |
| SMILES |
CC(NC(OCC(C)(C)C)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90338 |
