| SpectraBase Compound ID | ARVi4KIsGgf |
|---|---|
| InChI | InChI=1S/C23H31NO5/c1-3-29-19-5-4-17(9-20(19)28-2)18(10-21(25)26)24-22(27)23-11-14-6-15(12-23)8-16(7-14)13-23/h4-5,9,14-16,18H,3,6-8,10-13H2,1-2H3,(H,24,27)(H,25,26)/t14-,15+,16-,18?,23- |
| InChIKey | CILSRTZKYUYYAB-CSGPYJKSSA-N |
| Mol Weight | 401.5 g/mol |
| Molecular Formula | C23H31NO5 |
| Exact Mass | 401.220223 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4L1boHh52uc |
|---|---|
| Name | 3-(1-adamantylcarbonylamino)-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H31NO5 |
| InChI | InChI=1S/C23H31NO5/c1-3-29-19-5-4-17(9-20(19)28-2)18(10-21(25)26)24-22(27)23-11-14-6-15(12-23)8-16(7-14)13-23/h4-5,9,14-16,18H,3,6-8,10-13H2,1-2H3,(H,24,27)(H,25,26)/t14-,15+,16-,18?,23- |
| InChIKey | CILSRTZKYUYYAB-CSGPYJKSSA-N |
| Molecular Weight | 401.503 g/mol |
| SMILES | N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)C(CC(=O)O)c1cc(c(OCC)cc1)OC |
| SPLASH | splash10-000i-8931000000-d95cc50a283f5acb1446 |
| Synonyms | 3-(adamantane-1-carbonylamino)-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid 3-[[1-adamantyl(oxo)methyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid 3-(adamantane-1-carbonylamino)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid |
| Wiley ID | 1443621 |