| SpectraBase Compound ID | FMirToRMs6r |
|---|---|
| InChI | InChI=1S/C13H13NO2S/c1-4-13(2,3)16-12(15)10(9-14)8-11-6-5-7-17-11/h4-8H,1H2,2-3H3/b10-8+ |
| InChIKey | DXXJSSWWVSPODD-CSKARUKUSA-N |
| Mol Weight | 247.31 g/mol |
| Molecular Formula | C13H13NO2S |
| Exact Mass | 247.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5nXwE2S2Gd |
|---|---|
| Name | 1'',1''-Dimethyl-2''-propenyl 2-cyano-3-(2'-thienyl)-2-propenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.066699835 u |
| Formula | C13H13NO2S |
| InChI | InChI=1S/C13H13NO2S/c1-4-13(2,3)16-12(15)10(9-14)8-11-6-5-7-17-11/h4-8H,1H2,2-3H3/b10-8+ |
| InChIKey | DXXJSSWWVSPODD-CSKARUKUSA-N |
| Molecular Weight | 247.312 g/mol |
| SMILES | C(\C(C(OC(C)(C=C)C)=O)=C/C=1SC=CC1)#N |