| SpectraBase Compound ID | 84So0WdPeEh |
|---|---|
| InChI | InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)/t17-,18+,19-,28- |
| InChIKey | LZCDAPDGXCYOEH-AADAIPAGSA-N |
| Mol Weight | 412.53 g/mol |
| Molecular Formula | C28H28O3 |
| Exact Mass | 412.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8K72Y2Xb4uu |
|---|---|
| Name | Adapalen |
| CAS Registry Number | 106685-40-9 |
| Classification | Acne-therapeutic |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 412.203844759 u |
| Formula | C28H28O3 |
| InChI | InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)/t17-,18+,19-,28- |
| InChIKey | LZCDAPDGXCYOEH-AADAIPAGSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 412.529 g/mol |
| Nominal Mass | 412 u |
| Quality | 942 |
| Retention Index | 3200 |
| SMILES | OC(C1=CC=2C(=CC(C3=CC(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])=C(C=C3)OC)=CC2)C=C1)=O |
| SPLASH | splash10-03di-1553900000-29831512ca255dacc7da |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Differin 6-[3-(1-Adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid |
| Technique | GC/MS |
| Wiley ID | DD2024_006331 |