| SpectraBase Compound ID | 2sPFY7tSIc8 |
|---|---|
| InChI | InChI=1S/C14H20OS/c1-9(2)14(15)16-8-13-11(4)6-10(3)7-12(13)5/h6-7,9H,8H2,1-5H3 |
| InChIKey | GMOUJDNAUBYCDK-UHFFFAOYSA-N |
| Mol Weight | 236.37 g/mol |
| Molecular Formula | C14H20OS |
| Exact Mass | 236.123486 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 | lvO7IhXM8K |
|---|---|
| Name | 2,4,6-Trimethylbenzyl mercaptan, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.123486437 u |
| Formula | C14H20OS |
| InChI | InChI=1S/C14H20OS/c1-9(2)14(15)16-8-13-11(4)6-10(3)7-12(13)5/h6-7,9H,8H2,1-5H3 |
| InChIKey | GMOUJDNAUBYCDK-UHFFFAOYSA-N |
| Molecular Weight | 236.373 g/mol |
| SMILES | C(SC(C(C)C)=O)C1=C(C=C(C=C1C)C)C |