| SpectraBase Compound ID | 3mrMiNP8mmE |
|---|---|
| InChI | InChI=1S/C14H20O2S/c1-5-10-16-13(15)17-12-9-7-6-8-11(12)14(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChIKey | ZOLFXJJTCGWJBJ-UHFFFAOYSA-N |
| Mol Weight | 252.37 g/mol |
| Molecular Formula | C14H20O2S |
| Exact Mass | 252.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20LgNKa1sD7 |
|---|---|
| Name | 2-(Tert-butyl)benzenethiol, S-(N-propyloxycarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.118401056 u |
| Formula | C14H20O2S |
| InChI | InChI=1S/C14H20O2S/c1-5-10-16-13(15)17-12-9-7-6-8-11(12)14(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChIKey | ZOLFXJJTCGWJBJ-UHFFFAOYSA-N |
| Molecular Weight | 252.372 g/mol |
| SMILES | C(C)(C)(C)C1=C(SC(OCCC)=O)C=CC=C1 |