| SpectraBase Spectrum ID |
5vQr62OH7i7 |
| Name |
Isophthalic acid, 2-bromo-4-fluorophenyl nonyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.099850476 u |
| Formula |
C23H26BrFO4 |
| InChI |
InChI=1S/C23H26BrFO4/c1-2-3-4-5-6-7-8-14-28-22(26)17-10-9-11-18(15-17)23(27)29-21-13-12-19(25)16-20(21)24/h9-13,15-16H,2-8,14H2,1H3 |
| InChIKey |
SYQYHXRJDVVESY-UHFFFAOYSA-N |
| Molecular Weight |
465.359 g/mol |
| SMILES |
C1=CC(OC(C2=CC(=CC=C2)C(OCCCCCCCCC)=O)=O)=C(C=C1F)Br |
