| SpectraBase Compound ID | 6qW8m7kycfL |
|---|---|
| InChI | InChI=1S/C18H28O2S/c1-2-3-4-5-6-8-11-16(19)14-17(20)15-21-18-12-9-7-10-13-18/h7,9-10,12-13,16,19H,2-6,8,11,14-15H2,1H3 |
| InChIKey | OZARVPJRZQNXDZ-UHFFFAOYSA-N |
| Mol Weight | 308.48 g/mol |
| Molecular Formula | C18H28O2S |
| Exact Mass | 308.181001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyYLNFHckZF |
|---|---|
| Name | 4-Hydroxy-1-phenylthio-2-dodecanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.181001314 u |
| Formula | C18H28O2S |
| InChI | InChI=1S/C18H28O2S/c1-2-3-4-5-6-8-11-16(19)14-17(20)15-21-18-12-9-7-10-13-18/h7,9-10,12-13,16,19H,2-6,8,11,14-15H2,1H3 |
| InChIKey | OZARVPJRZQNXDZ-UHFFFAOYSA-N |
| SMILES | C(CC(O)CCCCCCCC)(=O)CSC1=CC=CC=C1 |