| SpectraBase Spectrum ID |
LgbLft4sh1e |
| Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl cis-hex-3-enyl 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/h3-4,13H,2,5-10H2,1H3/b4-3- |
| InChIKey |
DPRMXGKBVKVTEQ-ARJAWSKDSA-N |
| Molecular Weight |
328.304 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OCC\C=C/CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961385 |
