| SpectraBase Compound ID | FuM2JKSr9HG |
|---|---|
| InChI | InChI=1S/C16H12OS/c1-11-6-8-12(9-7-11)14-10-16(17)18-15-5-3-2-4-13(14)15/h2-10H,1H3 |
| InChIKey | HIMLYKHFICJFFB-UHFFFAOYSA-N |
| Mol Weight | 252.33 g/mol |
| Molecular Formula | C16H12OS |
| Exact Mass | 252.060886 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LW6WBbeXpmv |
|---|---|
| Name | 4-(4-Methylphenyl)-2H-thiochromen-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H12OS |
| InChI | InChI=1S/C16H12OS/c1-11-6-8-12(9-7-11)14-10-16(17)18-15-5-3-2-4-13(14)15/h2-10H,1H3 |
| InChIKey | HIMLYKHFICJFFB-UHFFFAOYSA-N |
| Molecular Weight | 252.331 g/mol |
| SMILES | C=1(c2c(cccc2)SC(C1)=O)c1ccc(cc1)C |
| SPLASH | splash10-00di-0090000000-a5e5e48909a5255ce71c |
| Source of Spectrum | O1-47-620-2b |
| Wiley ID | 1669564 |