| SpectraBase Compound ID | 2yCqi63xGnD |
|---|---|
| InChI | InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6-8/h2-4H2,1H3 |
| InChIKey | BHIDNRRANFCOJD-UHFFFAOYSA-N |
| Mol Weight | 139.22 g/mol |
| Molecular Formula | C7H9NS |
| Exact Mass | 139.04557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZVHAl1sGzp |
|---|---|
| Name | 6-(Methylthio)hex-5-ynenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.045570468 u |
| Formula | C7H9NS |
| InChI | InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6-8/h2-4H2,1H3 |
| InChIKey | BHIDNRRANFCOJD-UHFFFAOYSA-N |
| Molecular Weight | 139.216 g/mol |
| SMILES | C(#N)CCCC#CSC |