| SpectraBase Compound ID | CaIzh5jPsIu |
|---|---|
| InChI | InChI=1S/C27H31F5O2/c1-15(2)16-6-8-18-17(14-16)7-11-21-25(18,3)12-5-13-26(21,4)24(33)34-27(31,32)19-9-10-20(28)23(30)22(19)29/h7,9-10,14-15,18,21H,5-6,8,11-13H2,1-4H3/t18-,21?,25+,26+/m0/s1 |
| InChIKey | XFDJPHIPWPXPNU-NYAHROBKSA-N |
| Mol Weight | 482.54 g/mol |
| Molecular Formula | C27H31F5O2 |
| Exact Mass | 482.224421 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CmFZpKPKeJE |
|---|---|
| Name | abietic acid pentafluorobenzyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H31F5O2 |
| InChI | InChI=1S/C27H31F5O2/c1-15(2)16-6-8-18-17(14-16)7-11-21-25(18,3)12-5-13-26(21,4)24(33)34-27(31,32)19-9-10-20(28)23(30)22(19)29/h7,9-10,14-15,18,21H,5-6,8,11-13H2,1-4H3/t18-,21?,25+,26+/m0/s1 |
| InChIKey | XFDJPHIPWPXPNU-NYAHROBKSA-N |
| Molecular Weight | 482.535 g/mol |
| SMILES | C(c1c(c(F)c(cc1)F)F)(OC([C@]1(C2[C@]([C@]3(CCC(=CC3=CC2)C(C)C)[H])(C)CCC1)C)=O)(F)F |
| SPLASH | splash10-0kai-2953300000-ef131b85f26013b1a582 |
| Source of Spectrum | O-31-1163-0 |
| Wiley ID | 1395637 |