SpectraBase Spectrum ID |
BzflCuNoD6x |
Name |
2,6-Pyridinedicarboxylic acid, hexyl 5-methoxy-3-methylpent-2-yl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
365.220223097 u |
Formula |
C20H31NO5 |
InChI |
InChI=1S/C20H31NO5/c1-5-6-7-8-13-25-19(22)17-10-9-11-18(21-17)20(23)26-16(3)15(2)12-14-24-4/h9-11,15-16H,5-8,12-14H2,1-4H3 |
InChIKey |
LLIDIZFNXQLIBO-UHFFFAOYSA-N |
Molecular Weight |
365.470 g/mol |
SMILES |
CC(OC(C1=NC(C(OCCCCCC)=O)=CC=C1)=O)C(CCOC)C |