| SpectraBase Spectrum ID |
ADfi5liwFLp |
| Name |
Glutaric acid, 3-methylbut-2-en-1-yl 2,2,3,3-tetrafluoropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.114121708 u |
| Formula |
C13H18F4O4 |
| InChI |
InChI=1S/C13H18F4O4/c1-9(2)6-7-20-10(18)4-3-5-11(19)21-8-13(16,17)12(14)15/h6,12H,3-5,7-8H2,1-2H3 |
| InChIKey |
LDHLZJFWLWGNGI-UHFFFAOYSA-N |
| Molecular Weight |
314.277 g/mol |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OCC(C(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976588 |
