| SpectraBase Compound ID | 7XV82VFHP0S |
|---|---|
| InChI | InChI=1S/C12H13NOS/c1-9(13-8-15)6-10-2-3-11-4-5-14-12(11)7-10/h2-3,7,9H,4-6H2,1H3 |
| InChIKey | QLTQRDUPSHLKMW-UHFFFAOYSA-N |
| Mol Weight | 219.3 g/mol |
| Molecular Formula | C12H13NOS |
| Exact Mass | 219.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 53f8Z5P4FTk |
|---|---|
| Name | 6-Apdb-isothiocyanat |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.071785216 u |
| Formula | C12H13NOS |
| InChI | InChI=1S/C12H13NOS/c1-9(13-8-15)6-10-2-3-11-4-5-14-12(11)7-10/h2-3,7,9H,4-6H2,1H3 |
| InChIKey | QLTQRDUPSHLKMW-UHFFFAOYSA-N |
| Molecular Weight | 219.302 g/mol |
| SMILES | C12=C(C=CC(=C2)CC(N=C=S)C)CCO1 |