| SpectraBase Spectrum ID |
JS6wxK3F4ld |
| Name |
Cardamonin, 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/c1-36-14-9-12(37-17(34)19(23,24)21(27,28)29)10-15(38-18(35)20(25,26)22(30,31)32)16(14)13(33)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+ |
| InChIKey |
IMUMEGVBTOJOMN-BQYQJAHWSA-N |
| Molecular Weight |
562.316 g/mol |
| SMILES |
C(\C=C\C1=CC=CC=C1)(=O)C1=C(OC)C=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868486 |
