| SpectraBase Spectrum ID |
9fzx2CswdxT |
| Name |
Succinic acid, 3-methylbut-2-yl 2,2,3,4,4,4-hexafluorobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.110928034 u |
| Formula |
C13H18F6O4 |
| InChI |
InChI=1S/C13H18F6O4/c1-7(2)8(3)23-10(21)5-4-9(20)22-6-12(15,16)11(14)13(17,18)19/h7-8,11H,4-6H2,1-3H3 |
| InChIKey |
YGNMDEASYJKIKU-UHFFFAOYSA-N |
| Molecular Weight |
352.273 g/mol |
| SMILES |
C(CC(OC(C(C)C)C)=O)C(OCC(C(C(F)(F)F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918906 |
