| SpectraBase Spectrum ID |
EacCwnpwAaK |
| Name |
4H-1-Benzothiopyran-4-one, 2-(4-methylphenyl)- |
| Alternate Name(s) |
2-(4-methylphenyl)-4H-1-benzothiopyran-4-one
2-(p-methylphenyl)-4H-1-benzothiopyran-4-one |
| CAS Registry Number |
93367-50-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| 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)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3 |
| InChIKey |
ATABXHHIXMGTFA-UHFFFAOYSA-N |
| Molecular Weight |
252.331 g/mol |
| SMILES |
C=1(Sc2ccccc2C(C1)=O)c1ccc(cc1)C |
| SPLASH |
splash10-0fk9-0090000000-9d6e6f4ca166853434d3 |
| Source of Spectrum |
AJ-57-2324-1 |
| Wiley ID |
1255998 |
