| SpectraBase Spectrum ID |
FJ7Xoy0TfIk |
| Name |
dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.239099994 u |
| Formula |
C20H37ClN2O5 |
| InChI |
InChI=1S/C20H37ClN2O5/c1-6-7-8-9-10-11-14-27-19(25)17(3)22(4)18(24)16(2)23(5)20(26)28-15-12-13-21/h16-17H,6-15H2,1-5H3 |
| InChIKey |
MBULMBGHZLUKIL-UHFFFAOYSA-N |
| Molecular Weight |
420.978 g/mol |
| SMILES |
CN(C(C(=O)OCCCCCCCC)C)C(C(N(C)C(=O)OCCCCl)C)=O |
