| SpectraBase Spectrum ID |
1TWngx7M3e8 |
| Name |
L-Leucine, N-(2-chloroethoxycarbonyl)-N-methyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.374136919 u |
| Formula |
C28H54ClNO4 |
| InChI |
InChI=1S/C28H54ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-33-27(31)26(24-25(2)3)30(4)28(32)34-23-21-29/h25-26H,5-24H2,1-4H3 |
| InChIKey |
KOWAYWCGPCZBHP-UHFFFAOYSA-N |
| Molecular Weight |
504.196 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCCCOC(C(N(C(OCCCl)=O)C)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855458 |
