| SpectraBase Compound ID | 8llKm1OdSrI |
|---|---|
| InChI | InChI=1S/C27H34O4/c1-4-31-27(29)25(26(28)21-13-9-6-10-14-21)24(17-20-11-7-5-8-12-20)22-15-19(2)16-23(18-22)30-3/h6,9-10,13-16,18,20,24-25H,4-5,7-8,11-12,17H2,1-3H3 |
| InChIKey | ABPHXTSTYKNABN-UHFFFAOYSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C27H34O4 |
| Exact Mass | 422.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jxh495LvAtS |
|---|---|
| Name | ethyl 2-benzoyl-4-cyclohexyl-3-(3-methoxy-5-methyl-phenyl)butanoate |
| Appearance | Light yellow oily liquid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H34O4 |
| InChI | InChI=1S/C27H34O4/c1-4-31-27(29)25(26(28)21-13-9-6-10-14-21)24(17-20-11-7-5-8-12-20)22-15-19(2)16-23(18-22)30-3/h6,9-10,13-16,18,20,24-25H,4-5,7-8,11-12,17H2,1-3H3 |
| InChIKey | ABPHXTSTYKNABN-UHFFFAOYSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Molecular Weight | 422.565 g/mol |
| Reported Formula | C27H35O4 |
| SMILES | c1(C(C(C(OCC)=O)C(=O)c2ccccc2)CC2CCCCC2)cc(cc(c1)OC)C |
| SPLASH | splash10-000i-0901200000-0dfdad5d96c6d3062e04 |
| Sample Comments | dr = 1.5:1 |
| Source of Spectrum | CN108640839A |
| Wiley ID | 1872447 |