| SpectraBase Spectrum ID |
GA50v4IanRt |
| Name |
Valylvaline, N,N'-dimethyl-N'-neopentyloxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.325022520 u |
| Formula |
C23H44N2O5 |
| InChI |
InChI=1S/C23H44N2O5/c1-11-12-13-14-29-21(27)19(17(4)5)24(9)20(26)18(16(2)3)25(10)22(28)30-15-23(6,7)8/h16-19H,11-15H2,1-10H3 |
| InChIKey |
AEJCHEZTSWYWPX-UHFFFAOYSA-N |
| Molecular Weight |
428.614 g/mol |
| SMILES |
CC(COC(N(C(C(N(C(C(C)C)C(OCCCCC)=O)C)=O)C(C)C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841897 |
