| SpectraBase Compound ID | ydvbQ4vKYd |
|---|---|
| InChI | InChI=1S/C18H26O3S/c1-2-22-15-11-6-4-3-5-10-14-21-18(20)17(19)16-12-8-7-9-13-16/h7-9,12-13H,2-6,10-11,14-15H2,1H3 |
| InChIKey | FTOCQJJQQPFYMT-UHFFFAOYSA-N |
| Mol Weight | 322.46 g/mol |
| Molecular Formula | C18H26O3S |
| Exact Mass | 322.160266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSwKn3S7ztZ |
|---|---|
| Name | 8'-Ethylthio N-octyl phenylglyoxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.160265868 u |
| Formula | C18H26O3S |
| InChI | InChI=1S/C18H26O3S/c1-2-22-15-11-6-4-3-5-10-14-21-18(20)17(19)16-12-8-7-9-13-16/h7-9,12-13H,2-6,10-11,14-15H2,1H3 |
| InChIKey | FTOCQJJQQPFYMT-UHFFFAOYSA-N |
| Molecular Weight | 322.463 g/mol |
| SMILES | C(C(=O)OCCCCCCCCSCC)(=O)C1=CC=CC=C1 |