![5-{p-[(4-carboxy-4-methylpentyl)thio]phenoxy}-2,2-dimethylvaleric acid](/api/spectrum/HdNTytwkSVn/structure.png?h=300&w=458 "5-{p-[(4-carboxy-4-methylpentyl)thio]phenoxy}-2,2-dimethylvaleric acid")
| SpectraBase Compound ID | 9BzCKKXW0V6 |
|---|---|
| InChI | InChI=1S/C20H30O5S/c1-19(2,17(21)22)11-5-13-25-15-7-9-16(10-8-15)26-14-6-12-20(3,4)18(23)24/h7-10H,5-6,11-14H2,1-4H3,(H,21,22)(H,23,24) |
| InChIKey | LJECPQKVJLSBTK-UHFFFAOYSA-N |
| Mol Weight | 382.52 g/mol |
| Molecular Formula | C20H30O5S |
| Exact Mass | 382.181395 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdNTytwkSVn |
|---|---|
| Name | 5-{p-[(4-carboxy-4-methylpentyl)thio]phenoxy}-2,2-dimethylvaleric acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O5S |
| InChI | InChI=1S/C20H30O5S/c1-19(2,17(21)22)11-5-13-25-15-7-9-16(10-8-15)26-14-6-12-20(3,4)18(23)24/h7-10H,5-6,11-14H2,1-4H3,(H,21,22)(H,23,24) |
| InChIKey | LJECPQKVJLSBTK-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 42965M |
| Solvent | CDCl3 |