| SpectraBase Spectrum ID |
1qiUWvRDnK9 |
| Name |
2,2'-Dihydroxy-3-methoxychalcone, bis(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.047419730 u |
| Formula |
C22H12F10O6 |
| InChI |
InChI=1S/C22H12F10O6/c1-36-15-8-4-5-11(16(15)38-18(35)20(25,26)22(30,31)32)9-10-13(33)12-6-2-3-7-14(12)37-17(34)19(23,24)21(27,28)29/h2-10H,1H3/b10-9+ |
| InChIKey |
BXQDZYMWARDTPN-MDZDMXLPSA-N |
| Molecular Weight |
562.316 g/mol |
| SMILES |
C1(=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=CC(=C1OC(C(C(F)(F)F)(F)F)=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864944 |
