| SpectraBase Spectrum ID |
CbC1HRxhUj0 |
| Name |
L-Leucyl-L-leucine, N,N'-dimethyl-N'-(2-chloroethoxycarbonyl)-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.239099994 u |
| Formula |
C20H37ClN2O5 |
| InChI |
InChI=1S/C20H37ClN2O5/c1-8-10-27-19(25)17(13-15(4)5)22(6)18(24)16(12-14(2)3)23(7)20(26)28-11-9-21/h14-17H,8-13H2,1-7H3 |
| InChIKey |
ZRXDAXGMBHBTDE-UHFFFAOYSA-N |
| Molecular Weight |
420.978 g/mol |
| SMILES |
CC(C)CC(C(OCCC)=O)N(C(C(N(C(OCCCl)=O)C)CC(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832341 |
