| SpectraBase Compound ID | 9ZKGQFbtwEJ |
|---|---|
| InChI | InChI=1S/C22H29NO4/c1-2-27-18-5-3-17(4-6-18)19(10-20(24)25)23-21(26)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,14-16,19H,2,7-13H2,1H3,(H,23,26)(H,24,25)/t14-,15+,16-,19?,22- |
| InChIKey | DCHDTVPLHXJQSQ-OVAGRXEJSA-N |
| Mol Weight | 371.48 g/mol |
| Molecular Formula | C22H29NO4 |
| Exact Mass | 371.209658 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4EIJieRGjiB |
|---|---|
| Name | 3-(1-adamantylcarbonylamino)-3-(4-ethoxyphenyl)propanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H29NO4 |
| InChI | InChI=1S/C22H29NO4/c1-2-27-18-5-3-17(4-6-18)19(10-20(24)25)23-21(26)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,14-16,19H,2,7-13H2,1H3,(H,23,26)(H,24,25)/t14-,15+,16-,19?,22- |
| InChIKey | DCHDTVPLHXJQSQ-OVAGRXEJSA-N |
| Molecular Weight | 371.477 g/mol |
| SMILES | OC(CC(c1ccc(cc1)OCC)NC(=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |
| SPLASH | splash10-0553-9821000000-f09dfb5066668443efae |
| Synonyms | 3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoic acid 3-(adamantane-1-carbonylamino)-3-p-phenetyl-propionic acid 3-[[1-adamantyl(oxo)methyl]amino]-3-(4-ethoxyphenyl)propanoic acid |
| Wiley ID | 1443929 |