| SpectraBase Spectrum ID |
5hucbvQxxzc |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.366159058 u |
| Formula |
C25H49NO4 |
| InChI |
InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-23(27)19-20-26-24(28)30-22-25(2,3)4/h5-22H2,1-4H3,(H,26,28) |
| InChIKey |
FJCDLILRBMLRCR-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
CC(COC(NCCC(OCCCCCCCCCCCCCCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914081 |
