| SpectraBase Compound ID | A1Qh0vsAL9s |
|---|---|
| InChI | InChI=1S/C16H22O4S/c1-12(2)11-19-15(17)9-6-10-16(18)20-13-7-4-5-8-14(13)21-3/h4-5,7-8,12H,6,9-11H2,1-3H3 |
| InChIKey | RHFYPLIBUPAFFV-UHFFFAOYSA-N |
| Mol Weight | 310.41 g/mol |
| Molecular Formula | C16H22O4S |
| Exact Mass | 310.12388 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 | 2ETD2zcOp6Q |
|---|---|
| Name | Glutaric acid, isobutyl 2-(methylthio)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.123880358 u |
| Formula | C16H22O4S |
| InChI | InChI=1S/C16H22O4S/c1-12(2)11-19-15(17)9-6-10-16(18)20-13-7-4-5-8-14(13)21-3/h4-5,7-8,12H,6,9-11H2,1-3H3 |
| InChIKey | RHFYPLIBUPAFFV-UHFFFAOYSA-N |
| Molecular Weight | 310.408 g/mol |
| SMILES | C(OC1=C(SC)C=CC=C1)(=O)CCCC(OCC(C)C)=O |