![benzo[b]thiophene-3-carbonitrile](/api/spectrum/5HNqTjn48GD/structure.png?h=300&w=458 "benzo[b]thiophene-3-carbonitrile")
| SpectraBase Compound ID | LEgcb2Rimj5 |
|---|---|
| InChI | InChI=1S/C9H5NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H |
| InChIKey | WBXHAYDGMCONLX-UHFFFAOYSA-N |
| Mol Weight | 159.21 g/mol |
| Molecular Formula | C9H5NS |
| Exact Mass | 159.01427 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5HNqTjn48GD |
|---|---|
| Name | benzo[b]thiophene-3-carbonitrile |
| Alternate Name(s) | 1-Benzothiophene-3-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H5NS |
| InChI | InChI=1S/C9H5NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H |
| InChIKey | WBXHAYDGMCONLX-UHFFFAOYSA-N |
| Molecular Weight | 159.206 g/mol |
| SMILES | C(#N)c1csc2ccccc12 |
| SPLASH | splash10-0a4i-3900000000-1af7accb9b661cae7402 |
| Source of Spectrum | JX-2012-103 |
| Wiley ID | 1660550 |