| SpectraBase Compound ID | Af42Wf69GJs |
|---|---|
| InChI | InChI=1S/C27H42O6/c1-18(15-25(30)32-17-22(33-21(4)29)16-31-20(3)28)9-11-23-19(2)10-12-24-26(5,6)13-8-14-27(23,24)7/h15,22-24H,2,8-14,16-17H2,1,3-7H3/b18-15+/t22-,23+,24?,27-/m0/s1 |
| InChIKey | JJKXJIBKYABEBL-SHNKGREXSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C27H42O6 |
| Exact Mass | 462.298139 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ASqpgfkjcPd |
|---|---|
| Name | Copalic acid 2,3-diacetoxypropyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O6 |
| InChI | InChI=1S/C27H42O6/c1-18(15-25(30)32-17-22(33-21(4)29)16-31-20(3)28)9-11-23-19(2)10-12-24-26(5,6)13-8-14-27(23,24)7/h15,22-24H,2,8-14,16-17H2,1,3-7H3/b18-15+/t22-,23+,24?,27-/m0/s1 |
| InChIKey | JJKXJIBKYABEBL-SHNKGREXSA-N |
| Molecular Weight | 462.627 g/mol |
| SMILES | [C@]12(C(C(CCC2)(C)C)CCC([C@]1(CC\C(=C\C(=O)OC[C@@](OC(=O)C)(COC(=O)C)[H])C)[H])=C)C |
| SPLASH | splash10-0a4s-0940000000-7042929e81d644303def |
| Source of Spectrum | F-56-2509-1 |
| Wiley ID | 856616 |