| SpectraBase Compound ID | 2DOE3nPxqoq |
|---|---|
| InChI | InChI=1S/C16H24OS/c1-3-4-5-6-7-8-13-18-16(17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | GZLJGWCVCMSLEE-UHFFFAOYSA-N |
| Mol Weight | 264.43 g/mol |
| Molecular Formula | C16H24OS |
| Exact Mass | 264.154787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GEl1zUemh0o |
|---|---|
| Name | 4-Methylbenzenecarbothioic acid S-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.154786566 u |
| Formula | C16H24OS |
| InChI | InChI=1S/C16H24OS/c1-3-4-5-6-7-8-13-18-16(17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | GZLJGWCVCMSLEE-UHFFFAOYSA-N |
| Molecular Weight | 264.427 g/mol |
| SMILES | C(C1=CC=C(C=C1)C)(=O)SCCCCCCCC |