| SpectraBase Spectrum ID |
E8IohXb5KhQ |
| Name |
2',3',4'-Trihydroxychalcone, tris(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
694.010875068 u |
| Formula |
C24H9F15O7 |
| InChI |
InChI=1S/C24H9F15O7/c25-19(26,22(31,32)33)16(41)44-13-9-7-11(12(40)8-6-10-4-2-1-3-5-10)14(45-17(42)20(27,28)23(34,35)36)15(13)46-18(43)21(29,30)24(37,38)39/h1-9H/b8-6+ |
| InChIKey |
DDPDQBQMHHPZFY-SOFGYWHQSA-N |
| Molecular Weight |
694.305 g/mol |
| SMILES |
C1(=CC=C(C(=C1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86534 |
