| SpectraBase Spectrum ID |
1d5muRvo7zA |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.194008349 u |
| Formula |
C14H27NO4 |
| InChI |
InChI=1S/C14H27NO4/c1-13(2,3)9-18-11(16)7-8-15-12(17)19-10-14(4,5)6/h7-10H2,1-6H3,(H,15,17) |
| InChIKey |
DGUXUSCPSMRJHP-UHFFFAOYSA-N |
| SMILES |
CC(COC(NCCC(OCC(C)(C)C)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987411 |
