| SpectraBase Spectrum ID |
IVO9x7zdudA |
| Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl hex-4-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.114121708 u |
| Formula |
C14H18F4O4 |
| InChI |
InChI=1S/C14H18F4O4/c1-3-6-10(4-2)22-12(20)8-5-7-11(19)21-9-14(17,18)13(15)16/h10,13H,4-5,7-9H2,1-2H3 |
| InChIKey |
YKFVOYHGOPULPL-UHFFFAOYSA-N |
| Molecular Weight |
326.288 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OC(CC)C#CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960357 |
