| SpectraBase Compound ID | B8fFwMPsceT |
|---|---|
| InChI | InChI=1S/C17H28O2S/c1-2-3-4-5-6-10-13-20-15-16(18)14-19-17-11-8-7-9-12-17/h7-9,11-12,16,18H,2-6,10,13-15H2,1H3 |
| InChIKey | AOGGXBYGIQFIKT-UHFFFAOYSA-N |
| Mol Weight | 296.47 g/mol |
| Molecular Formula | C17H28O2S |
| Exact Mass | 296.181001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rhjFmbI04z |
|---|---|
| Name | 1-(Octylthio)-3-phenoxypropan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.181001314 u |
| Formula | C17H28O2S |
| InChI | InChI=1S/C17H28O2S/c1-2-3-4-5-6-10-13-20-15-16(18)14-19-17-11-8-7-9-12-17/h7-9,11-12,16,18H,2-6,10,13-15H2,1H3 |
| InChIKey | AOGGXBYGIQFIKT-UHFFFAOYSA-N |
| SMILES | C(OC=1C=CC=CC1)C(O)CSCCCCCCCC |