| SpectraBase Compound ID | CsaCRo19xlP |
|---|---|
| InChI | InChI=1S/C16H18O6S/c1-12(22-13(2)17)8-7-11-15(16(18)21-3)23(19,20)14-9-5-4-6-10-14/h4-11,15H,1-3H3/b11-7-,12-8+ |
| InChIKey | ZDXHOBXXZKFTNA-NTLHZVPKSA-N |
| Mol Weight | 338.37 g/mol |
| Molecular Formula | C16H18O6S |
| Exact Mass | 338.082409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LjEwWL37Ch |
|---|---|
| Name | 3,5-HEPTADIENOIC ACID, 6-(ACETYLOXY)-2-(PHENYLSULFONYL)-METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H18O6S |
| InChI | InChI=1S/C16H18O6S/c1-12(22-13(2)17)8-7-11-15(16(18)21-3)23(19,20)14-9-5-4-6-10-14/h4-11,15H,1-3H3/b11-7-,12-8+ |
| InChIKey | ZDXHOBXXZKFTNA-NTLHZVPKSA-N |
| NMR Standard | TMS |
| Solvent | CDCL3 |