| SpectraBase Spectrum ID |
4858fS3HS2g |
| Name |
Benzenepropanoic acid, .alpha.,.beta.-dioxo-2-(phenylthio)-, ethyl ester |
| CAS Registry Number |
120571-38-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H14O4S |
| InChI |
InChI=1S/C17H14O4S/c1-2-21-17(20)16(19)15(18)13-10-6-7-11-14(13)22-12-8-4-3-5-9-12/h3-11H,2H2,1H3 |
| InChIKey |
NUCIKAREUMEQJC-UHFFFAOYSA-N |
| Molecular Weight |
314.355 g/mol |
| SMILES |
C(C(c1c(Sc2ccccc2)cccc1)=O)(C(=O)OCC)=O |
| SPLASH |
splash10-03di-0290000000-ef44d63045a7846b3dd9 |
| Source of Spectrum |
F-46-6540-13 |
| Synonyms |
Ethyl 2,3-dioxo-3-(2-phenylthio)phenylpropanoate
Ethyl 2,3-dioxo-3-[2-(phenylsulfanyl)phenyl]propanoate |
| Wiley ID |
1314948 |
