![2-[(4-Chlorophenyl)sulfanyl]ethanamine, 2ac derivative](/api/spectrum/9eWUp82zLKz/structure.png?h=300&w=458 "2-[(4-Chlorophenyl)sulfanyl]ethanamine, 2ac derivative")
| SpectraBase Compound ID | GmEDNanObf6 |
|---|---|
| InChI | InChI=1S/C12H14ClNO2S/c1-9(15)14(10(2)16)7-8-17-12-5-3-11(13)4-6-12/h3-6H,7-8H2,1-2H3 |
| InChIKey | ICIUPKPMGDLEDF-UHFFFAOYSA-N |
| Mol Weight | 271.76 g/mol |
| Molecular Formula | C12H14ClNO2S |
| Exact Mass | 271.043378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eWUp82zLKz |
|---|---|
| Name | 2-[(4-Chlorophenyl)sulfanyl]ethanamine, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.043377567 u |
| Formula | C12H14ClNO2S |
| InChI | InChI=1S/C12H14ClNO2S/c1-9(15)14(10(2)16)7-8-17-12-5-3-11(13)4-6-12/h3-6H,7-8H2,1-2H3 |
| InChIKey | ICIUPKPMGDLEDF-UHFFFAOYSA-N |
| SMILES | CC(=O)N(C(C)=O)CCSC=1C=CC(Cl)=CC1 |