| SpectraBase Compound ID | 36bFqhmwq6X |
|---|---|
| InChI | InChI=1S/C14H20OS/c1-4-5-11-14(12(2)3)15-16-13-9-7-6-8-10-13/h4,6-10,12,14H,1,5,11H2,2-3H3 |
| InChIKey | HTXXVGMUXXBKPJ-UHFFFAOYSA-N |
| Mol Weight | 236.37 g/mol |
| Molecular Formula | C14H20OS |
| Exact Mass | 236.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bap89j9SVfZ |
|---|---|
| Name | (1-Isopropylpent-4-enoxythio)benzene |
| 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/c1-4-5-11-14(12(2)3)15-16-13-9-7-6-8-10-13/h4,6-10,12,14H,1,5,11H2,2-3H3 |
| InChIKey | HTXXVGMUXXBKPJ-UHFFFAOYSA-N |
| Molecular Weight | 236.373 g/mol |
| SMILES | C1(SOC(C(C)C)CCC=C)=CC=CC=C1 |