| SpectraBase Spectrum ID |
86q01KzAL4H |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, butyl 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/c1-5-6-9-17-11(15)7-8-14-12(16)18-10-13(2,3)4/h5-10H2,1-4H3,(H,14,16) |
| InChIKey |
SDDSCPZLJMWQLR-UHFFFAOYSA-N |
| Molecular Weight |
259.346 g/mol |
| SMILES |
CC(COC(NCCC(OCCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910553 |
