| SpectraBase Spectrum ID |
CaDgGlmgXTR |
| Name |
2,6-Pyridinedicarboxylic acid, heptyl 2-octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.256608607 u |
| Formula |
C22H35NO4 |
| InChI |
InChI=1S/C22H35NO4/c1-4-6-8-10-12-17-26-21(24)19-15-13-16-20(23-19)22(25)27-18(3)14-11-9-7-5-2/h13,15-16,18H,4-12,14,17H2,1-3H3 |
| InChIKey |
NJWMVLZSKNXCOF-UHFFFAOYSA-N |
| Molecular Weight |
377.525 g/mol |
| SMILES |
CC(OC(C1=NC(C(OCCCCCCC)=O)=CC=C1)=O)CCCCCC |
