| SpectraBase Spectrum ID |
KsqK6euO8Ov |
| Name |
L-Alanine, N-valeryl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.355594374 u |
| Formula |
C24H47NO3 |
| InChI |
InChI=1S/C24H47NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-28-24(27)22(3)25-23(26)20-7-5-2/h22H,4-21H2,1-3H3,(H,25,26) |
| InChIKey |
BPFSUSXTIIMYHR-UHFFFAOYSA-N |
| Molecular Weight |
397.644 g/mol |
| SMILES |
C(OC(C(NC(=O)CCCC)C)=O)CCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96945 |
