| SpectraBase Compound ID | 6A29P182OKb |
|---|---|
| InChI | InChI=1S/C12H16O2S2/c1-3-16-12(15)8-11(13)9-4-6-10(14-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3 |
| InChIKey | SIELEFMWAGXCQJ-UHFFFAOYSA-N |
| Mol Weight | 256.38 g/mol |
| Molecular Formula | C12H16O2S2 |
| Exact Mass | 256.059172 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 | K9MQZBqt5S0 |
|---|---|
| Name | Ethyl 3-(4-methoxyphenyl)-3-hydroxypropanedithioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.059172101 u |
| Formula | C12H16O2S2 |
| InChI | InChI=1S/C12H16O2S2/c1-3-16-12(15)8-11(13)9-4-6-10(14-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3 |
| InChIKey | SIELEFMWAGXCQJ-UHFFFAOYSA-N |
| Molecular Weight | 256.378 g/mol |
| SMILES | C(CC(O)C=1C=CC(=CC1)OC)(SCC)=S |