| SpectraBase Spectrum ID |
6dYzZJC1Kqj |
| Name |
Methyl 5-acetyl-4-(phenylthio)-1,4-cyclohexadienecarboxylate |
| Alternate Name(s) |
Methyl 5-acetyl-4-(phenylsulfanyl)-1,4-cyclohexadiene-1-carboxylate |
| CAS Registry Number |
116503-25-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16O3S |
| InChI |
InChI=1S/C16H16O3S/c1-11(17)14-10-12(16(18)19-2)8-9-15(14)20-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3 |
| InChIKey |
SOWWMZSWVPGOBU-UHFFFAOYSA-N |
| Molecular Weight |
288.361 g/mol |
| SMILES |
C1(=C(Sc2ccccc2)CC=C(C1)C(=O)OC)C(=O)C |
| SPLASH |
splash10-01ri-0960000000-fc3153093e28c17aab30 |
| Source of Spectrum |
J-53-5307-5 |
| Wiley ID |
1291642 |
