| SpectraBase Spectrum ID |
J4ffdqUIjHv |
| Name |
dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.223449930 u |
| Formula |
C19H35ClN2O5 |
| InChI |
InChI=1S/C19H35ClN2O5/c1-6-7-8-9-10-13-26-18(24)16(3)21(4)17(23)15(2)22(5)19(25)27-14-11-12-20/h15-16H,6-14H2,1-5H3 |
| InChIKey |
GHUSXEPLPIZGNF-UHFFFAOYSA-N |
| Molecular Weight |
406.951 g/mol |
| SMILES |
CN(C(C(=O)OCCCCCCC)C)C(C(N(C)C(=O)OCCCCl)C)=O |
