SpectraBase Spectrum ID |
JLRzWDzx3Pv |
Name |
Isonipecotic acid, N-(2,4-difluorobenzoyl)-, octyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
381.211550121 u |
Formula |
C21H29F2NO3 |
InChI |
InChI=1S/C21H29F2NO3/c1-2-3-4-5-6-7-14-27-21(26)16-10-12-24(13-11-16)20(25)18-9-8-17(22)15-19(18)23/h8-9,15-16H,2-7,10-14H2,1H3 |
InChIKey |
GFCDTSFRLCKKTR-UHFFFAOYSA-N |
Molecular Weight |
381.464 g/mol |
SMILES |
CCCCCCCCOC(C1CCN(C(C2=C(C=C(F)C=C2)F)=O)CC1)=O |