| SpectraBase Spectrum ID |
6lqLcfV3KYn |
| Name |
dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.460059444 u |
| Formula |
C31H61NO4 |
| InChI |
InChI=1S/C31H61NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-35-30(33)28(4)32(5)31(34)36-27-29(8-3)25-10-7-2/h28-29H,6-27H2,1-5H3 |
| InChIKey |
CESNFJYVGUNCQM-UHFFFAOYSA-N |
| Molecular Weight |
511.832 g/mol |
| SMILES |
CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961173 |
