| SpectraBase Compound ID | 3Lm4leTIRpd |
|---|---|
| InChI | InChI=1S/C12H14O3S/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | MUGOLUNVBVZWRE-UHFFFAOYSA-N |
| Mol Weight | 238.3 g/mol |
| Molecular Formula | C12H14O3S |
| Exact Mass | 238.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3bwFPQYeFH2 |
|---|---|
| Name | o-Ethyl S-(4-methylphenylacyl) thiocarbonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.066365482 u |
| Formula | C12H14O3S |
| InChI | InChI=1S/C12H14O3S/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | MUGOLUNVBVZWRE-UHFFFAOYSA-N |
| Molecular Weight | 238.301 g/mol |
| SMILES | C(SCC(C=1C=CC(=CC1)C)=O)(=O)OCC |