| SpectraBase Compound ID | 5t1icrtSxbr |
|---|---|
| InChI | InChI=1S/C16H18OS/c1-11-9-12(2)16(18-4)15(10-11)13-5-7-14(17-3)8-6-13/h5-10H,1-4H3 |
| InChIKey | IDSCKJJAKYWVEC-UHFFFAOYSA-N |
| Mol Weight | 258.38 g/mol |
| Molecular Formula | C16H18OS |
| Exact Mass | 258.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CH6JOUdtBGT |
|---|---|
| Name | 3,5-bis(Methyl)-2-methylthio-1-(methoxyphenyl)phenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.107836373 u |
| Formula | C16H18OS |
| InChI | InChI=1S/C16H18OS/c1-11-9-12(2)16(18-4)15(10-11)13-5-7-14(17-3)8-6-13/h5-10H,1-4H3 |
| InChIKey | IDSCKJJAKYWVEC-UHFFFAOYSA-N |
| Molecular Weight | 258.379 g/mol |
| SMILES | C=1(C(=C(C)C=C(C1)C)SC)C=1C=CC(=CC1)OC |