| SpectraBase Spectrum ID |
8ghnzkxjUmQ |
| Name |
D-Proline, N-propoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.366159058 u |
| Formula |
C26H49NO4 |
| InChI |
InChI=1S/C26H49NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-25(28)24-20-19-21-27(24)26(29)31-22-4-2/h24H,3-23H2,1-2H3 |
| InChIKey |
CJBALMNABJZTME-UHFFFAOYSA-N |
| Molecular Weight |
439.681 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCCOC(C1N(CCC1)C(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891504 |
