| SpectraBase Compound ID | HvH05fBb4S |
|---|---|
| InChI | InChI=1S/C18H10F6O4/c19-17(20,21)15(25)27-13-8-12(7-6-11-4-2-1-3-5-11)9-14(10-13)28-16(26)18(22,23)24/h1-10H/b7-6+ |
| InChIKey | BYBZXVLYPPMENT-VOTSOKGWSA-N |
| Mol Weight | 404.26 g/mol |
| Molecular Formula | C18H10F6O4 |
| Exact Mass | 404.048328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5wt4lLx7HV |
|---|---|
| Name | Pinosylvin, bis(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.048327776 u |
| Formula | C18H10F6O4 |
| InChI | InChI=1S/C18H10F6O4/c19-17(20,21)15(25)27-13-8-12(7-6-11-4-2-1-3-5-11)9-14(10-13)28-16(26)18(22,23)24/h1-10H/b7-6+ |
| InChIKey | BYBZXVLYPPMENT-VOTSOKGWSA-N |
| Molecular Weight | 404.264 g/mol |
| SMILES | C1(\C=C\C2=CC(OC(C(F)(F)F)=O)=CC(=C2)OC(C(F)(F)F)=O)=CC=CC=C1 |