| SpectraBase Spectrum ID |
EWaRnnJLxKM |
| Name |
2,6-Pyridinedicarboxylic acid, heptadecyl 2-pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
475.366159058 u |
| Formula |
C29H49NO4 |
| InChI |
InChI=1S/C29H49NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-28(31)26-22-20-23-27(30-26)29(32)34-25(3)21-5-2/h20,22-23,25H,4-19,21,24H2,1-3H3 |
| InChIKey |
VLHMRMGKCKFLDZ-UHFFFAOYSA-N |
| Molecular Weight |
475.714 g/mol |
| SMILES |
CC(OC(C1=NC(C(OCCCCCCCCCCCCCCCCC)=O)=CC=C1)=O)CCC |
