| SpectraBase Spectrum ID |
IRFabx7i8pj |
| Name |
Methyl 4-acetyl-5-(phenylthio)-1,4-cyclohexadienecarboxylate |
| Alternate Name(s) |
Methyl 4-acetyl-5-(phenylsulfanyl)-1,4-cyclohexadiene-1-carboxylate |
| CAS Registry Number |
116503-26-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16O3S |
| InChI |
InChI=1S/C16H16O3S/c1-11(17)14-9-8-12(16(18)19-2)10-15(14)20-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3 |
| InChIKey |
ZSJFDPQLEYACLI-UHFFFAOYSA-N |
| Molecular Weight |
288.361 g/mol |
| SMILES |
C1(=C(CC=C(C1)C(=O)OC)C(=O)C)Sc1ccccc1 |
| SPLASH |
splash10-004r-0890000000-febbac19ae49606f6af0 |
| Source of Spectrum |
J-53-5307-6 |
| Wiley ID |
1291643 |
