| SpectraBase Spectrum ID |
CYx3tDtnFVB |
| Name |
L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.350508993 u |
| Formula |
C25H47NO4 |
| InChI |
InChI=1S/C25H47NO4/c1-8-9-10-11-12-15-29-24(27)22(16-18(2)3)26(7)25(28)30-23-17-20(6)13-14-21(23)19(4)5/h18-23H,8-17H2,1-7H3 |
| InChIKey |
TYRJFPJQUXAKGB-UHFFFAOYSA-N |
| Molecular Weight |
425.654 g/mol |
| SMILES |
C(C)(C)CC(N(C)C(=O)OC1C(C(C)C)CCC(C)C1)C(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865811 |
