| SpectraBase Spectrum ID |
DIPEICuSQJB |
| Name |
Glutaric acid, hex-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 |
328.129771772 u |
| Formula |
C14H20F4O4 |
| InChI |
InChI=1S/C14H20F4O4/c1-2-3-4-5-9-21-11(19)7-6-8-12(20)22-10-14(17,18)13(15)16/h4-5,13H,2-3,6-10H2,1H3/b5-4+ |
| InChIKey |
YBHMFNOFLXIDRW-SNAWJCMRSA-N |
| Molecular Weight |
328.304 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OC\C=C\CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972195 |
