![1-[(2-keto-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-3-yl)methyl]nipecotic acid ethyl ester](/api/spectrum/6ynZq6dnQJv/structure.png?h=300&w=458 "1-[(2-keto-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-3-yl)methyl]nipecotic acid ethyl ester")
| SpectraBase Compound ID | L2DMscKxJMJ |
|---|---|
| InChI | InChI=1S/C23H33NO4/c1-4-27-21(25)16-8-6-10-24(13-16)14-18-17-11-19-15(2)7-5-9-23(19,3)12-20(17)28-22(18)26/h7,11,16-18,20H,4-6,8-10,12-14H2,1-3H3 |
| InChIKey | COBANFXUQLODDA-UHFFFAOYSA-N |
| Mol Weight | 387.5 g/mol |
| Molecular Formula | C23H33NO4 |
| Exact Mass | 387.240959 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ynZq6dnQJv |
|---|---|
| Name | 1-[(2-keto-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-3-yl)methyl]nipecotic acid ethyl ester |
| Alternate Name(s) | 1-[(5,8a-dimethyl-2-oxo-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-3-yl)methyl]-3-piperidinecarboxylic acid ethyl ester Ethyl 1-[(5,8a-dimethyl-2-oxidanylidene-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-3-yl)methyl]piperidine-3-carboxylate Ethyl 1-[(5,8a-dimethyl-2-oxo-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-3-yl)methyl]piperidine-3-carboxylate Ethyl 1-[(5,8a-dimethyl-2-oxo-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-3-yl)methyl]piperidine-3-carboxylate Piperidine-3-carboxylic acid, 1-(5,8a-dimethyl-2-oxo-2,3,3a,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-3-ylmethyl)-, ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H33NO4 |
| InChI | InChI=1S/C23H33NO4/c1-4-27-21(25)16-8-6-10-24(13-16)14-18-17-11-19-15(2)7-5-9-23(19,3)12-20(17)28-22(18)26/h7,11,16-18,20H,4-6,8-10,12-14H2,1-3H3 |
| InChIKey | COBANFXUQLODDA-UHFFFAOYSA-N |
| Molecular Weight | 387.520 g/mol |
| SMILES | C1(C(OC2C1C=C1C(=CCCC1(C2)C)C)=O)CN1CC(C(=O)OCC)CCC1 |
| SPLASH | splash10-00di-5900000000-853b1746a52f94b59d79 |
| Source of Spectrum | AD-0-2532-0 |
| Wiley ID | 1436100 |