| SpectraBase Compound ID | DwLMy3nKsmG |
|---|---|
| InChI | InChI=1S/C12H11ClS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2 |
| InChIKey | AJHWGOSSSHMWPC-UHFFFAOYSA-N |
| Mol Weight | 222.73 g/mol |
| Molecular Formula | C12H11ClS |
| Exact Mass | 222.026999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kDpbR9SSJM |
|---|---|
| Name | 2-[(2-Chloroethyl)sulfanyl]naphthalene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.026999228 u |
| Formula | C12H11ClS |
| InChI | InChI=1S/C12H11ClS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2 |
| InChIKey | AJHWGOSSSHMWPC-UHFFFAOYSA-N |
| Molecular Weight | 222.733 g/mol |
| SMILES | C(Cl)CSC1=CC=C2C(=C1)C=CC=C2 |