| SpectraBase Spectrum ID |
F0grAxIIcG0 |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, octadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-25(29)21-22-28-26(30)32-24-27(2,3)4/h5-24H2,1-4H3,(H,28,30) |
| InChIKey |
RUEGEFLOSIUJSW-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
CC(COC(NCCC(OCCCCCCCCCCCCCCCCCC)=O)=O)(C)C |
