| SpectraBase Compound ID | 6EnToBiuD1O |
|---|---|
| InChI | InChI=1S/C15H22Cl2N2O/c1-20-12-3-2-7-18-8-10-19(11-9-18)14-6-4-5-13(16)15(14)17/h4-6H,2-3,7-12H2,1H3 |
| InChIKey | PJRCQRNBFFYNGC-UHFFFAOYSA-N |
| Mol Weight | 317.26 g/mol |
| Molecular Formula | C15H22Cl2N2O |
| Exact Mass | 316.110919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPH28FMtxL2 |
|---|---|
| Name | Aripiprazole-m (deschinolinone) me |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.110918735 u |
| Formula | C15H22Cl2N2O |
| InChI | InChI=1S/C15H22Cl2N2O/c1-20-12-3-2-7-18-8-10-19(11-9-18)14-6-4-5-13(16)15(14)17/h4-6H,2-3,7-12H2,1H3 |
| InChIKey | PJRCQRNBFFYNGC-UHFFFAOYSA-N |
| Molecular Weight | 317.260 g/mol |
| SMILES | C=1(N2CCN(CC2)CCCCOC)C(=C(C=CC1)Cl)Cl |