| SpectraBase Compound ID | I7DUoGzPjjW |
|---|---|
| InChI | InChI=1S/C15H13NS/c1-17-15-8-6-13(7-9-15)10-12-2-4-14(11-16)5-3-12/h2-9H,10H2,1H3 |
| InChIKey | HIHLFNJCWIJOKC-UHFFFAOYSA-N |
| Mol Weight | 239.34 g/mol |
| Molecular Formula | C15H13NS |
| Exact Mass | 239.076871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7LRVWIHKeWv |
|---|---|
| Name | 4-(4-(Methylthio)benzyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.076870597 u |
| Formula | C15H13NS |
| InChI | InChI=1S/C15H13NS/c1-17-15-8-6-13(7-9-15)10-12-2-4-14(11-16)5-3-12/h2-9H,10H2,1H3 |
| InChIKey | HIHLFNJCWIJOKC-UHFFFAOYSA-N |
| Molecular Weight | 239.336 g/mol |
| SMILES | C(C=1C=CC(=CC1)CC=1C=CC(=CC1)SC)#N |