| SpectraBase Spectrum ID |
DCFYCxQlUt3 |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.334858929 u |
| Formula |
C23H45NO4 |
| InChI |
InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-27-21(25)17-18-24-22(26)28-20-23(2,3)4/h5-20H2,1-4H3,(H,24,26) |
| InChIKey |
YTXNBVLZQUWJAW-UHFFFAOYSA-N |
| Molecular Weight |
399.616 g/mol |
| SMILES |
CC(COC(NCCC(OCCCCCCCCCCCCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827938 |
