| SpectraBase Spectrum ID |
DDj9j7qZurQ |
| Name |
dl-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.397459187 u |
| Formula |
C28H53NO4 |
| InChI |
InChI=1S/C28H53NO4/c1-7-8-9-10-11-12-13-14-15-16-17-20-32-27(30)24(5)29(6)28(31)33-26-21-23(4)18-19-25(26)22(2)3/h22-26H,7-21H2,1-6H3 |
| InChIKey |
VTQZFHBGLQQRRF-UHFFFAOYSA-N |
| Molecular Weight |
467.735 g/mol |
| SMILES |
CC(N(C)C(=O)OC1C(C(C)C)CCC(C)C1)C(=O)OCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905837 |
