| SpectraBase Spectrum ID |
Linn6pfJYmL |
| Name |
dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl 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/c1-6-9-11-12-13-14-15-16-18-27-22(25)20(4)24(5)23(26)28-19-21(8-3)17-10-7-2/h20-21H,6-19H2,1-5H3 |
| InChIKey |
NIRGVZZSCXXUCQ-UHFFFAOYSA-N |
| Molecular Weight |
399.616 g/mol |
| SMILES |
CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956072 |
