![Butanoic acid, 2-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester](/api/spectrum/LH4DiGnsYRt/structure.png?h=300&w=458 "Butanoic acid, 2-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester")
| SpectraBase Compound ID | 48PkXKCsniW |
|---|---|
| InChI | InChI=1S/C12H16O5S/c1-4-11(12(13)16-3)17-18(14,15)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3 |
| InChIKey | XPUBUZQRGXUOMR-UHFFFAOYSA-N |
| Mol Weight | 272.31 g/mol |
| Molecular Formula | C12H16O5S |
| Exact Mass | 272.071845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LH4DiGnsYRt |
|---|---|
| Name | Butanoic acid, 2-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.071844784 u |
| Formula | C12H16O5S |
| InChI | InChI=1S/C12H16O5S/c1-4-11(12(13)16-3)17-18(14,15)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3 |
| InChIKey | XPUBUZQRGXUOMR-UHFFFAOYSA-N |
| SMILES | C(OS(C=1C=CC(=CC1)C)(=O)=O)(C(=O)OC)CC |