| SpectraBase Spectrum ID |
8f3vkZYlhXq |
| Name |
L-Leucine, N-benzyloxycarbonyl-N-methyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.194008349 u |
| Formula |
C18H27NO4 |
| InChI |
InChI=1S/C18H27NO4/c1-5-11-22-17(20)16(12-14(2)3)19(4)18(21)23-13-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3 |
| InChIKey |
CJXDJBLTLCKPTQ-UHFFFAOYSA-N |
| Molecular Weight |
321.417 g/mol |
| SMILES |
C1=CC=CC=C1COC(N(C)C(C(OCCC)=O)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955717 |
