| SpectraBase Spectrum ID |
3krcumfUULp |
| Name |
Methyl (5-Phenylthio-2,4-cyclohexadienyl)acetoacetate |
| Alternate Name(s) |
Methyl 3-oxo-4-[5-(phenylsulfanyl)-2,4-cyclohexadien-1-yl]butanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H18O3S |
| InChI |
InChI=1S/C17H18O3S/c1-20-17(19)12-14(18)10-13-6-5-9-16(11-13)21-15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3 |
| InChIKey |
AOKYKQDWXPCQSA-UHFFFAOYSA-N |
| Molecular Weight |
302.388 g/mol |
| SMILES |
C1(Sc2ccccc2)=CC=CC(C1)CC(CC(=O)OC)=O |
| SPLASH |
splash10-0kbr-1964000000-4310de797411ab054d96 |
| Source of Spectrum |
QA-43-363-10 |
| Wiley ID |
862256 |
