| SpectraBase Spectrum ID |
CAatli7Q7j3 |
| Name |
3-(4-Fluorobenzyl)-5-methoxy-7-pentyl-2H-chromen-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23FO3 |
| InChI |
InChI=1S/C22H23FO3/c1-3-4-5-6-16-12-20(25-2)19-14-17(22(24)26-21(19)13-16)11-15-7-9-18(23)10-8-15/h7-10,12-14H,3-6,11H2,1-2H3 |
| InChIKey |
TTZOJUSYSHPFJJ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm4005175 |
| Molecular Weight |
354.421 g/mol |
| Reported Formula |
C22H23FO3 |
| SMILES |
c1(F)ccc(cc1)CC=1C(Oc2c(C1)c(cc(c2)CCCCC)OC)=O |
| SPLASH |
splash10-0pb9-1639000000-52400274b255ae99b9d3 |
| Source of Spectrum |
AF-56-4808-62 |
| Thin-Layer Chromatography |
Rf = 0.29 (cyclohexane/ethyl acetate, 20:1) |
| Wiley ID |
1854557 |
