| SpectraBase Spectrum ID |
7mQMIZtqJAD |
| Name |
4,2'-Dihydroxychalcone, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.043242395 u |
| Formula |
C19H10F6O5 |
| InChI |
InChI=1S/C19H10F6O5/c20-18(21,22)16(27)29-12-8-5-11(6-9-12)7-10-14(26)13-3-1-2-4-15(13)30-17(28)19(23,24)25/h1-10H/b10-7+ |
| InChIKey |
XMMAGSMQBWBSKW-JXMROGBWSA-N |
| Molecular Weight |
432.274 g/mol |
| SMILES |
C1(=CC=CC=C1OC(C(F)(F)F)=O)C(\C=C\C1=CC=C(C=C1)OC(C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962316 |
