| SpectraBase Spectrum ID |
LVBzXz7vwPS |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.303558800 u |
| Formula |
C21H41NO4 |
| InChI |
InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-17-25-19(23)15-16-22-20(24)26-18-21(2,3)4/h5-18H2,1-4H3,(H,22,24) |
| InChIKey |
MEIOPLPJKJBNRS-UHFFFAOYSA-N |
| Molecular Weight |
371.562 g/mol |
| SMILES |
CC(COC(NCCC(OCCCCCCCCCCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901274 |
