| SpectraBase Compound ID | 89Te2c9nhy6 |
|---|---|
| InChI | InChI=1S/C16H15NS/c17-12-5-4-7-14-8-6-11-16(13-14)18-15-9-2-1-3-10-15/h1-3,6,8-11,13H,4-5,7H2 |
| InChIKey | YCSPCUYHOHWJQU-UHFFFAOYSA-N |
| Mol Weight | 253.36 g/mol |
| Molecular Formula | C16H15NS |
| Exact Mass | 253.092521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5TQCqZxcHi |
|---|---|
| Name | 1-(3-Cyanopropyl)-3-(phenylthio)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.092520661 u |
| Formula | C16H15NS |
| InChI | InChI=1S/C16H15NS/c17-12-5-4-7-14-8-6-11-16(13-14)18-15-9-2-1-3-10-15/h1-3,6,8-11,13H,4-5,7H2 |
| InChIKey | YCSPCUYHOHWJQU-UHFFFAOYSA-N |
| Molecular Weight | 253.363 g/mol |
| SMILES | C(#N)CCCC=1C=C(SC=2C=CC=CC2)C=CC1 |