| SpectraBase Spectrum ID |
hK3TIIiqjm |
| Name |
dl-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.366159058 u |
| Formula |
C26H49NO4 |
| InChI |
InChI=1S/C26H49NO4/c1-7-8-9-10-11-12-13-14-15-18-30-25(28)22(5)27(6)26(29)31-24-19-21(4)16-17-23(24)20(2)3/h20-24H,7-19H2,1-6H3 |
| InChIKey |
KHNCDUIRDQIRHQ-UHFFFAOYSA-N |
| Molecular Weight |
439.681 g/mol |
| SMILES |
CC(N(C)C(=O)OC1C(C(C)C)CCC(C)C1)C(=O)OCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879848 |
