| SpectraBase Spectrum ID |
6TePG3q2LhW |
| Name |
dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-22-31-26(29)24(4)28(5)27(30)32-23-25(8-3)21-10-7-2/h24-25H,6-23H2,1-5H3 |
| InChIKey |
LMBZGTWDZUFXTE-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917217 |
