| SpectraBase Spectrum ID |
5o99GjnKaHF |
| Name |
2-(3,4-di(Trifluoroacetyl)oxyphenyl)-2,3-dihydro-5,7-di(trifluoroacetyl)oxy-4H-1-benzopyran-4-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
671.992584404 u |
| Formula |
C23H8F12O10 |
| InChI |
InChI=1S/C23H8F12O10/c24-20(25,26)16(37)41-8-4-13-15(14(5-8)45-19(40)23(33,34)35)9(36)6-11(42-13)7-1-2-10(43-17(38)21(27,28)29)12(3-7)44-18(39)22(30,31)32/h1-5,11H,6H2 |
| InChIKey |
BHOICXZYWPQEMT-UHFFFAOYSA-N |
| Molecular Weight |
672.288 g/mol |
| SMILES |
C1=C(C(OC(C(F)(F)F)=O)=CC=C1C1CC(C2=C(C=C(C=C2OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)O1)=O)OC(C(F)(F)F)=O |
