| SpectraBase Compound ID | Gr7OtAainWm |
|---|---|
| InChI | InChI=1S/C13H11NOS2/c14-9-11(13-16-7-4-8-17-13)12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2 |
| InChIKey | AFSSAHOZKULCBJ-UHFFFAOYSA-N |
| Mol Weight | 261.36 g/mol |
| Molecular Formula | C13H11NOS2 |
| Exact Mass | 261.028206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhHPPljjzZU |
|---|---|
| Name | BENZENEPROPANENITRILE, .ALPHA.-(1,3-DITHIAN-2-YLIDENE)-.BETA.-OXO- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C13H11NOS2 |
| InChI | InChI=1S/C13H11NOS2/c14-9-11(13-16-7-4-8-17-13)12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2 |
| InChIKey | AFSSAHOZKULCBJ-UHFFFAOYSA-N |
| Instrument Name | BRUKER WP-200 |
| NMR Standard | TMS |
| Solvent | CDCL3 |