| SpectraBase Compound ID | 3EAHuGTzB2p |
|---|---|
| InChI | InChI=1S/C17H21Cl2NO2/c1-3-22-17(21)16-12(9-11-5-7-15(16)20(11)2)10-4-6-13(18)14(19)8-10/h4,6,8,11-12,15-16H,3,5,7,9H2,1-2H3/t11-,12+,15+,16-/m0/s1 |
| InChIKey | XLFWHXZCZSUEDV-OJDYBEQGSA-N |
| Mol Weight | 342.27 g/mol |
| Molecular Formula | C17H21Cl2NO2 |
| Exact Mass | 341.094934 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8IX2Y89aqoa |
|---|---|
| Name | RTI-111 A (ethyl analog) |
| Classification | Designer drug artifact |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 341.094934318 u |
| Formula | C17H21Cl2NO2 |
| InChI | InChI=1S/C17H21Cl2NO2/c1-3-22-17(21)16-12(9-11-5-7-15(16)20(11)2)10-4-6-13(18)14(19)8-10/h4,6,8,11-12,15-16H,3,5,7,9H2,1-2H3/t11-,12+,15+,16-/m0/s1 |
| InChIKey | XLFWHXZCZSUEDV-OJDYBEQGSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 342.266 g/mol |
| Nominal Mass | 341 u |
| Quality | 1000 |
| Retention Index | 2502 |
| SMILES | [C@@]1([C@@]([C@@]2(N([C@](C1)(CC2)[H])C)[H])(C(OCC)=O)[H])(C=1C=C(C(=CC1)Cl)Cl)[H] |
| SPLASH | splash10-001i-9220000000-83c770ad6b8d4942514a |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Ethyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique | GC/MS |
| Wiley ID | DD2024_024766 |