| SpectraBase Spectrum ID |
JYXn8JMC4t1 |
| Name |
2',6'-Dihydroxy 4'-methoxydihydrochalcone, bis(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
564.063069795 u |
| Formula |
C22H14F10O6 |
| InChI |
InChI=1S/C22H14F10O6/c1-36-12-9-14(37-17(34)19(23,24)21(27,28)29)16(13(33)8-7-11-5-3-2-4-6-11)15(10-12)38-18(35)20(25,26)22(30,31)32/h2-6,9-10H,7-8H2,1H3 |
| InChIKey |
HQLWNVOFKYPEKX-UHFFFAOYSA-N |
| Molecular Weight |
564.332 g/mol |
| SMILES |
C(CCC1=CC=CC=C1)(=O)C1=C(OC(C(C(F)(F)F)(F)F)=O)C=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927172 |
