| SpectraBase Spectrum ID |
Iexju8RiHGQ |
| Name |
2,2'-Dihydroxy-4',6'-dimethoxychalcone, bis(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
592.057984414 u |
| Formula |
C23H14F10O7 |
| InChI |
InChI=1S/C23H14F10O7/c1-37-12-9-15(38-2)17(16(10-12)40-19(36)21(26,27)23(31,32)33)13(34)8-7-11-5-3-4-6-14(11)39-18(35)20(24,25)22(28,29)30/h3-10H,1-2H3/b8-7+ |
| InChIKey |
SQPDPRUCGAQYJR-BQYQJAHWSA-N |
| Molecular Weight |
592.342 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882721 |
