| SpectraBase Compound ID | JX5XM17f0OI |
|---|---|
| InChI | InChI=1S/C30H36O4/c1-3-34-29(32)27(28(31)24-7-5-4-6-8-24)26(23-9-11-25(33-2)12-10-23)19-30-16-20-13-21(17-30)15-22(14-20)18-30/h4-12,20-22,26-27H,3,13-19H2,1-2H3/t20-,21+,22-,26?,27?,30- |
| InChIKey | OXPYCPQZASJTRU-UHFFFAOYSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C30H36O4 |
| Exact Mass | 460.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EhczaFiwgg4 |
|---|---|
| Name | ethyl 4-(1-adamantyl)-2-benzoyl-3-(4-methoxyphenyl)butanoate |
| Appearance | Pale yellow oily liquid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H36O4 |
| InChI | InChI=1S/C30H36O4/c1-3-34-29(32)27(28(31)24-7-5-4-6-8-24)26(23-9-11-25(33-2)12-10-23)19-30-16-20-13-21(17-30)15-22(14-20)18-30/h4-12,20-22,26-27H,3,13-19H2,1-2H3/t20-,21+,22-,26?,27?,30- |
| InChIKey | OXPYCPQZASJTRU-UHFFFAOYSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Molecular Weight | 460.614 g/mol |
| Reported Formula | C30H37O4 |
| SMILES | C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(C3)CC(C(C(=O)c1ccccc1)C(=O)OCC)c1ccc(cc1)OC)[H])[H])[H] |
| SPLASH | splash10-000i-0920300000-f95d83f6b870ffef447d |
| Sample Comments | dr = 1.1:1 |
| Source of Spectrum | CN108640839A |
| Wiley ID | 1872457 |