| SpectraBase Spectrum ID |
JnrdgsdZ5G3 |
| Name |
Palustric acid pentafluorobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.224421051 u |
| Formula |
C27H31F5O2 |
| InChI |
InChI=1S/C27H31F5O2/c1-14(2)15-6-8-18-16(12-15)7-9-19-26(18,3)10-5-11-27(19,4)25(33)34-13-17-20(28)22(30)24(32)23(31)21(17)29/h12,14,19H,5-11,13H2,1-4H3/t19?,26-,27-/m1/s1 |
| InChIKey |
ZXYXJMQDWCZAMG-DZXQMXLPSA-N |
| Molecular Weight |
482.535 g/mol |
| SMILES |
C1(=C(C(F)=C(C(=C1F)F)F)F)COC([C@]1(C2[C@](C=3CCC(=CC3CC2)C(C)C)(C)CCC1)C)=O |
