| SpectraBase Compound ID | Kow6Qqc947a |
|---|---|
| InChI | InChI=1S/C6H5NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1H2 |
| InChIKey | GWZCLMWEJWPFFA-UHFFFAOYSA-N |
| Mol Weight | 123.17 g/mol |
| Molecular Formula | C6H5NS |
| Exact Mass | 123.01427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ghcc6ExNr7w |
|---|---|
| Name | 3-THIOPHENEACETONITRILE |
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Boiling Point | 125C/16mm |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H5NS |
| InChI | InChI=1S/C6H5NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1H2 |
| InChIKey | GWZCLMWEJWPFFA-UHFFFAOYSA-N |
| Molecular Weight | 123.18 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300 |