| SpectraBase Spectrum ID |
F4SATszWZq7 |
| Name |
Gentisic acid, o,o'-bis(pentafluoropropionyl)-, 1,1,1-trifluoro-2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.003504058 u |
| Formula |
C16H7F13O6 |
| InChI |
InChI=1S/C16H7F13O6/c1-5(14(21,22)23)33-9(30)7-4-6(34-10(31)12(17,18)15(24,25)26)2-3-8(7)35-11(32)13(19,20)16(27,28)29/h2-5H,1H3 |
| InChIKey |
LEETVRGUKWRACY-UHFFFAOYSA-N |
| Molecular Weight |
542.205 g/mol |
| SMILES |
C1(C(=O)OC(C(F)(F)F)C)=C(C=CC(=C1)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982472 |
