| SpectraBase Spectrum ID |
9erZpf5fCV3 |
| Name |
Glutaric acid, 3,3,4,4-tetrafluoropropyl hept-4-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.161071901 u |
| Formula |
C15H24F4O4 |
| InChI |
InChI=1S/C15H24F4O4/c1-3-6-11(7-4-2)23-13(21)9-5-8-12(20)22-10-15(18,19)14(16)17/h11,14H,3-10H2,1-2H3 |
| InChIKey |
LFJNBSKPMYDAGJ-UHFFFAOYSA-N |
| Molecular Weight |
344.347 g/mol |
| SMILES |
C(CCC(OC(CCC)CCC)=O)C(OCC(C(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869422 |
