| SpectraBase Spectrum ID |
2uceix4eDX5 |
| Name |
L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.319208865 u |
| Formula |
C22H43NO4 |
| InChI |
InChI=1S/C22H43NO4/c1-8-10-13-19(9-2)16-27-22(25)23(7)20(15-18(5)6)21(24)26-14-11-12-17(3)4/h17-20H,8-16H2,1-7H3 |
| InChIKey |
PYKQTWCLZSKDRM-UHFFFAOYSA-N |
| Molecular Weight |
385.589 g/mol |
| SMILES |
C(C)(C)CC(N(C)C(=O)OCC(CCCC)CC)C(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903355 |
