| SpectraBase Spectrum ID |
7ww3XPT2xxQ |
| Name |
5-(Ethoxycarbonyl)-2-methoxy-7-(phenylthio)cyclohepta-2,4,6-trien-1-one |
| Alternate Name(s) |
Ethyl 4-methoxy-5-oxo-6-(phenylsulfanyl)-1,3,6-cycloheptatriene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O4S |
| InChI |
InChI=1S/C17H16O4S/c1-3-21-17(19)12-9-10-14(20-2)16(18)15(11-12)22-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3 |
| InChIKey |
XBHPNLGSYQDFSF-UHFFFAOYSA-N |
| Molecular Weight |
316.371 g/mol |
| SMILES |
C=1(C(C(=CC=C(C1)C(=O)OCC)OC)=O)Sc1ccccc1 |
| SPLASH |
splash10-0a4i-2593000000-82bee006eb8046f421ab |
| Source of Spectrum |
F-50-9889-5 |
| Wiley ID |
1316649 |
