SpectraBase Spectrum ID |
6501svUcTu7 |
Name |
Glutaric acid, hex-4-yn-3-yl pentafluorobenzyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
392.104699838 u |
Formula |
C18H17F5O4 |
InChI |
InChI=1S/C18H17F5O4/c1-3-6-10(4-2)27-13(25)8-5-7-12(24)26-9-11-14(19)16(21)18(23)17(22)15(11)20/h10H,4-5,7-9H2,1-2H3 |
InChIKey |
HFXPEDGNKPYJCL-UHFFFAOYSA-N |
Molecular Weight |
392.322 g/mol |
SMILES |
C(CCC(OC(CC)C#CC)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O |