| SpectraBase Compound ID | 3B1rsvuyiW5 |
|---|---|
| InChI | InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m0/s1 |
| InChIKey | JGMBHJNMQVKDMW-NSHDSACASA-N |
| Mol Weight | 291.18 g/mol |
| Molecular Formula | C16H12Cl2O |
| Exact Mass | 290.02652 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwgtTEp943S |
|---|---|
| Name | Sertraline-m (oxo) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.026520405 u |
| Formula | C16H12Cl2O |
| InChI | InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m0/s1 |
| InChIKey | JGMBHJNMQVKDMW-NSHDSACASA-N |
| SMILES | C1=2[C@](C3=CC(=C(C=C3)Cl)Cl)(CCC(C1=CC=CC2)=O)[H] |