| SpectraBase Spectrum ID |
97wTctZqGUv |
| Name |
L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
517.389786983 u |
| Formula |
C29H56ClNO4 |
| InChI |
InChI=1S/C29H56ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-28(32)27(25-26(2)3)31(4)29(33)35-24-21-22-30/h26-27H,5-25H2,1-4H3/t27-/m0/s1 |
| InChIKey |
LDMQPQRPSGMBSK-MHZLTWQESA-N |
| Molecular Weight |
518.223 g/mol |
| SMILES |
C(C)(C)C[C@](N(C)C(=O)OCCCCl)(C(OCCCCCCCCCCCCCCCCCC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805981 |
