| SpectraBase Spectrum ID |
1iF7KFGSzAh |
| Name |
Pentafluorophenyl 2-phenyl-1,6-hexanedioate - (monoester) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H13F5O4 |
| InChI |
InChI=1S/C18H13F5O4/c19-12-13(20)15(22)17(16(23)14(12)21)27-18(26)10(7-4-8-11(24)25)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,24,25) |
| InChIKey |
FYZNALXJQMKSCZ-UHFFFAOYSA-N |
| Molecular Weight |
388.290 g/mol |
| SMILES |
OC(CCCC(C(Oc1c(c(F)c(c(c1F)F)F)F)=O)c1ccccc1)=O |
| SPLASH |
splash10-0a4i-0090000000-b23c84d84c87fbf1d328 |
| Source of Spectrum |
D8-328-90-6 |
| Wiley ID |
1515616 |
