![Thiophene, 2-[(4-methylphenyl)methyl]-](/api/spectrum/KMeEd1VgYCn/structure.png?h=300&w=458 "Thiophene, 2-[(4-methylphenyl)methyl]-")
| SpectraBase Compound ID | 6SWjG8YiHGl |
|---|---|
| InChI | InChI=1S/C12H12S/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3 |
| InChIKey | KSZBBGSOBWUIOV-UHFFFAOYSA-N |
| Mol Weight | 188.29 g/mol |
| Molecular Formula | C12H12S |
| Exact Mass | 188.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KMeEd1VgYCn |
|---|---|
| Name | Thiophene, 2-[(4-methylphenyl)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.065971560 u |
| Formula | C12H12S |
| InChI | InChI=1S/C12H12S/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3 |
| InChIKey | KSZBBGSOBWUIOV-UHFFFAOYSA-N |
| Molecular Weight | 188.288 g/mol |
| SMILES | C=1(SC=CC1)CC=1C=CC(=CC1)C |