![5-Chlorobenzo [B] thiophene-3-acetonitrile](/api/spectrum/3gN2WTCJHYT/structure.png?h=300&w=458 "5-Chlorobenzo [B] thiophene-3-acetonitrile")
| SpectraBase Compound ID | BNCdSHGNpie |
|---|---|
| InChI | InChI=1S/C10H6ClNS/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6H,3H2 |
| InChIKey | JTPXNKOVUOJIKL-UHFFFAOYSA-N |
| Mol Weight | 207.68 g/mol |
| Molecular Formula | C10H6ClNS |
| Exact Mass | 206.990948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gN2WTCJHYT |
|---|---|
| Name | 5-Chlorobenzo [B] thiophene-3-acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.990948071 u |
| Formula | C10H6ClNS |
| InChI | InChI=1S/C10H6ClNS/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6H,3H2 |
| InChIKey | JTPXNKOVUOJIKL-UHFFFAOYSA-N |
| Molecular Weight | 207.678 g/mol |
| SMILES | C12=CC=C(C=C2C(CC#N)=CS1)Cl |