| SpectraBase Compound ID | pH3YaxMfVO |
|---|---|
| InChI | InChI=1S/C16H12OS/c1-11-6-8-12(9-7-11)15-10-13-4-2-3-5-14(13)16(17)18-15/h2-10H,1H3 |
| InChIKey | MASZYCBQWLVSEP-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 | BzkaS9GR40n |
|---|---|
| Name | 3-(4-Methylphenyl)-1H-2-benzothiopyran-1-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)15-10-13-4-2-3-5-14(13)16(17)18-15/h2-10H,1H3 |
| InChIKey | MASZYCBQWLVSEP-UHFFFAOYSA-N |
| Molecular Weight | 252.331 g/mol |
| SMILES | C1(=Cc2c(C(S1)=O)cccc2)c1ccc(cc1)C |
| SPLASH | splash10-00di-0190000000-2f8f2a9aba90a907a56c |
| Source of Spectrum | SO-0-1134-4 |
| Wiley ID | 1541850 |