| SpectraBase Compound ID | JSblhY4RQOw |
|---|---|
| InChI | InChI=1S/C12H10OS/c1-9-4-2-3-5-11(9)12(13)10-6-7-14-8-10/h2-8H,1H3 |
| InChIKey | WOAWYLIOLUTPRQ-UHFFFAOYSA-N |
| Mol Weight | 202.27 g/mol |
| Molecular Formula | C12H10OS |
| Exact Mass | 202.045236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AmLnAusHEHM |
|---|---|
| Name | (2-Methylphenyl)-(3-thiophenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.045236115 u |
| Formula | C12H10OS |
| InChI | InChI=1S/C12H10OS/c1-9-4-2-3-5-11(9)12(13)10-6-7-14-8-10/h2-8H,1H3 |
| InChIKey | WOAWYLIOLUTPRQ-UHFFFAOYSA-N |
| Molecular Weight | 202.271 g/mol |
| SMILES | C(C1=CSC=C1)(C=1C(C)=CC=CC1)=O |