| SpectraBase Compound ID | EaFaAMcPG6A |
|---|---|
| InChI | InChI=1S/C14H18OS/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-12H,2-5H2,1H3/b12-9+ |
| InChIKey | NXDGVSOCQNJWEN-FMIVXFBMSA-N |
| Mol Weight | 234.36 g/mol |
| Molecular Formula | C14H18OS |
| Exact Mass | 234.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uqrSqkreO2 |
|---|---|
| Name | (E)-2-Octenethioic acid S-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.107836373 u |
| Formula | C14H18OS |
| InChI | InChI=1S/C14H18OS/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-12H,2-5H2,1H3/b12-9+ |
| InChIKey | NXDGVSOCQNJWEN-FMIVXFBMSA-N |
| Molecular Weight | 234.357 g/mol |
| SMILES | C(SC=1C=CC=CC1)(\C=C\CCCCC)=O |