| SpectraBase Spectrum ID |
7ADm7FEVuxV |
| Name |
3-Hydroxybutyric acid, o-heptafluorobutyryl-, 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 |
396.041940428 u |
| Formula |
C11H10F10O4 |
| InChI |
InChI=1S/C11H10F10O4/c1-4(3-6(22)25-5(2)9(14,15)16)24-7(23)8(12,13)10(17,18)11(19,20)21/h4-5H,3H2,1-2H3 |
| InChIKey |
GNHJTRTUCPCVED-UHFFFAOYSA-N |
| Molecular Weight |
396.181 g/mol |
| SMILES |
C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)(C)CC(=O)OC(C(F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979266 |
