| SpectraBase Spectrum ID |
9naILDD7yMT |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.381809122 u |
| Formula |
C26H51NO4 |
| InChI |
InChI=1S/C26H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-24(28)20-21-27-25(29)31-23-26(2,3)4/h5-23H2,1-4H3,(H,27,29) |
| InChIKey |
ZBZVKQPZSQIHHK-UHFFFAOYSA-N |
| Molecular Weight |
441.697 g/mol |
| SMILES |
CC(COC(NCCC(OCCCCCCCCCCCCCCCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91319 |
