| SpectraBase Compound ID | I6QAQMq9a50 |
|---|---|
| InChI | InChI=1S/C19H19Cl2NO/c1-2-19(23)22-18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(20)17(21)11-12/h3-7,9,11,13,18H,2,8,10H2,1H3,(H,22,23)/t13-,18-/m0/s1 |
| InChIKey | WRFUXSICKFDGKL-UGSOOPFHSA-N |
| Mol Weight | 348.27 g/mol |
| Molecular Formula | C19H19Cl2NO |
| Exact Mass | 347.08437 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FlRch5ZqPmH |
|---|---|
| Name | Sertraline-m (nor) prop |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.084369635 u |
| Formula | C19H19Cl2NO |
| InChI | InChI=1S/C19H19Cl2NO/c1-2-19(23)22-18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(20)17(21)11-12/h3-7,9,11,13,18H,2,8,10H2,1H3,(H,22,23)/t13-,18-/m0/s1 |
| InChIKey | WRFUXSICKFDGKL-UGSOOPFHSA-N |
| Molecular Weight | 348.273 g/mol |
| SMILES | C1=2C([C@](C3=CC(=C(C=C3)Cl)Cl)(CC[C@@]1(NC(CC)=O)[H])[H])=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934564 |