| SpectraBase Compound ID | uyXlpgDKbx |
|---|---|
| InChI | InChI=1S/C12H12O2S/c13-12(14)9-5-2-6-10-15-11-7-3-1-4-8-11/h1-9H,10H2,(H,13,14)/b6-2+,9-5+ |
| InChIKey | RZPUXEDBTIZFFQ-VDESZNBCSA-N |
| Mol Weight | 220.29 g/mol |
| Molecular Formula | C12H12O2S |
| Exact Mass | 220.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9l9fjtw6avo |
|---|---|
| Name | 6-(Phenylthio)hexa-2,4-dienoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.055800798 u |
| Formula | C12H12O2S |
| InChI | InChI=1S/C12H12O2S/c13-12(14)9-5-2-6-10-15-11-7-3-1-4-8-11/h1-9H,10H2,(H,13,14)/b6-2+,9-5+ |
| InChIKey | RZPUXEDBTIZFFQ-VDESZNBCSA-N |
| Molecular Weight | 220.286 g/mol |
| SMILES | C(\C=C\C=C\CSC=1C=CC=CC1)(=O)O |