| SpectraBase Spectrum ID |
48fez653fJd |
| Name |
4H-1-Benzothiopyran-8-carboxylic acid, 3-(hydroxymethyl)-4-oxo-2-phenyl-, methyl ester |
| Alternate Name(s) |
3-(hydroxymethyl)-2-phenyl-8-methoxycarbonyl-4H-1-benzothiopyran-4-one
methyl 3-(hydroxymethyl)-4-oxo-2-phenyl-4H-1-benzothiopyran-8-carboxylate |
| CAS Registry Number |
93367-38-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H14O4S |
| InChI |
InChI=1S/C18H14O4S/c1-22-18(21)13-9-5-8-12-15(20)14(10-19)16(23-17(12)13)11-6-3-2-4-7-11/h2-9,19H,10H2,1H3 |
| InChIKey |
CODACSYQTUQPBC-UHFFFAOYSA-N |
| Molecular Weight |
326.366 g/mol |
| SMILES |
OCC1=C(Sc2c(C1=O)cccc2C(=O)OC)c1ccccc1 |
| SPLASH |
splash10-0a4i-0009000000-0d4291edfa4d7c4f637e |
| Source of Spectrum |
AJ-57-2324-3 |
| Wiley ID |
1324700 |
