| SpectraBase Spectrum ID |
JKS0dkKyOX3 |
| Name |
Pinosylvin, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963598 |
