| SpectraBase Compound ID | HwvLYQD6Ysx |
|---|---|
| InChI | InChI=1S/C12H12S/c1-10-7-8-12(13-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 |
| InChIKey | YPDMCAOBALCKSR-UHFFFAOYSA-N |
| Mol Weight | 188.29 g/mol |
| Molecular Formula | C12H12S |
| Exact Mass | 188.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qvE2KCvdJg |
|---|---|
| Name | 2-Benzyl-5-methyl-thiophene |
| 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/c1-10-7-8-12(13-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 |
| InChIKey | YPDMCAOBALCKSR-UHFFFAOYSA-N |
| Molecular Weight | 188.288 g/mol |
| SMILES | C=1(SC(=CC1)C)CC=1C=CC=CC1 |