| SpectraBase Spectrum ID |
BjG03D41xZr |
| Name |
dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.413109251 u |
| Formula |
C28H55NO4 |
| InChI |
InChI=1S/C28H55NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-23-32-27(30)25(4)29(5)28(31)33-24-26(8-3)22-10-7-2/h25-26H,6-24H2,1-5H3 |
| InChIKey |
MXJKZMWHCARXSF-UHFFFAOYSA-N |
| Molecular Weight |
469.751 g/mol |
| SMILES |
CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940673 |
