| SpectraBase Spectrum ID |
CsjFqTIUoxw |
| Name |
Pentafluorophenyl 3-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/c19-13-14(20)16(22)18(17(23)15(13)21)27-12(26)8-10(6-7-11(24)25)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,24,25) |
| InChIKey |
USQAFXFCPJEDRO-UHFFFAOYSA-N |
| Molecular Weight |
388.290 g/mol |
| SMILES |
OC(CCC(CC(Oc1c(c(F)c(c(c1F)F)F)F)=O)c1ccccc1)=O |
| SPLASH |
splash10-0udi-0090000000-fd5fc6467e0e4c743d18 |
| Source of Spectrum |
D8-328-90-7 |
| Wiley ID |
1515614 |
