| SpectraBase Compound ID | HNui1p0emJD |
|---|---|
| InChI | InChI=1S/C12H12OS/c1-9-7-11(8-14-9)10-3-5-12(13-2)6-4-10/h3-8H,1-2H3 |
| InChIKey | XNDXWCYBFPBUNJ-UHFFFAOYSA-N |
| Mol Weight | 204.29 g/mol |
| Molecular Formula | C12H12OS |
| Exact Mass | 204.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzjyokacNGu |
|---|---|
| Name | 4-(4-Methoxyphenyl)-2-methylthiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.060886179 u |
| Formula | C12H12OS |
| InChI | InChI=1S/C12H12OS/c1-9-7-11(8-14-9)10-3-5-12(13-2)6-4-10/h3-8H,1-2H3 |
| InChIKey | XNDXWCYBFPBUNJ-UHFFFAOYSA-N |
| Molecular Weight | 204.287 g/mol |
| SMILES | C=1(C=CC(C=2C=C(SC2)C)=CC1)OC |