| SpectraBase Compound ID | 6R9YhwWbhKf |
|---|---|
| InChI | InChI=1S/C20H21Cl2NO/c1-3-20(24)23(2)19-11-9-14(15-6-4-5-7-16(15)19)13-8-10-17(21)18(22)12-13/h4-8,10,12,14,19H,3,9,11H2,1-2H3/t14-,19-/m0/s1 |
| InChIKey | IPYSRZMMPXIZRL-LIRRHRJNSA-N |
| Mol Weight | 362.3 g/mol |
| Molecular Formula | C20H21Cl2NO |
| Exact Mass | 361.10002 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AHRbCNeYTBm |
|---|---|
| Name | Sertraline prop |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.100019699 u |
| Formula | C20H21Cl2NO |
| InChI | InChI=1S/C20H21Cl2NO/c1-3-20(24)23(2)19-11-9-14(15-6-4-5-7-16(15)19)13-8-10-17(21)18(22)12-13/h4-8,10,12,14,19H,3,9,11H2,1-2H3/t14-,19-/m0/s1 |
| InChIKey | IPYSRZMMPXIZRL-LIRRHRJNSA-N |
| Molecular Weight | 362.300 g/mol |
| SMILES | C=12C([C@@](N(C(CC)=O)C)(CC[C@]2(C2=CC(=C(C=C2)Cl)Cl)[H])[H])=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904203 |