| SpectraBase Spectrum ID |
4E5QmN3Ojgj |
| Name |
dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.356322649 u |
| Formula |
C25H48N2O5 |
| InChI |
InChI=1S/C25H48N2O5/c1-9-13-15-21(11-3)17-31-24(29)20(6)26(7)23(28)19(5)27(8)25(30)32-18-22(12-4)16-14-10-2/h19-22H,9-18H2,1-8H3 |
| InChIKey |
CDKSCVAOBIRQRM-UHFFFAOYSA-N |
| Molecular Weight |
456.668 g/mol |
| SMILES |
C(C(N(C)C(C(N(C)C(OCC(CCCC)CC)=O)C)=O)C)(OCC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851443 |
