![(rac)-1-Methoxy-4-[3-(phenylthio)butyl]benzene](/api/spectrum/9bonTB7x4sE/structure.png?h=300&w=458 "(rac)-1-Methoxy-4-[3-(phenylthio)butyl]benzene")
| SpectraBase Compound ID | 77MeYoIPXTn |
|---|---|
| InChI | InChI=1S/C17H20OS/c1-14(19-17-6-4-3-5-7-17)8-9-15-10-12-16(18-2)13-11-15/h3-7,10-14H,8-9H2,1-2H3 |
| InChIKey | GADOMOASBRBWBZ-UHFFFAOYSA-N |
| Mol Weight | 272.41 g/mol |
| Molecular Formula | C17H20OS |
| Exact Mass | 272.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bonTB7x4sE |
|---|---|
| Name | (rac)-1-Methoxy-4-[3-(phenylthio)butyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.123486437 u |
| Formula | C17H20OS |
| InChI | InChI=1S/C17H20OS/c1-14(19-17-6-4-3-5-7-17)8-9-15-10-12-16(18-2)13-11-15/h3-7,10-14H,8-9H2,1-2H3 |
| InChIKey | GADOMOASBRBWBZ-UHFFFAOYSA-N |
| Molecular Weight | 272.406 g/mol |
| SMILES | C=1C=C(C=CC1OC)CCC(SC1=CC=CC=C1)C |