| SpectraBase Spectrum ID |
CTP6cmbvNIT |
| Name |
2-(Ethoxycarbonyl)-4-(phenylsulfonyl)cyclohepta-2,4,6-triene-1-one |
| Alternate Name(s) |
Ethyl 7-oxo-3-(phenylsulfonyl)-1,3,5-cycloheptatriene-1-carboxylate |
| CAS Registry Number |
136175-67-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14O5S |
| InChI |
InChI=1S/C16H14O5S/c1-2-21-16(18)14-11-13(9-6-10-15(14)17)22(19,20)12-7-4-3-5-8-12/h3-11H,2H2,1H3 |
| InChIKey |
PNIVPQYRMRUULI-UHFFFAOYSA-N |
| Molecular Weight |
318.343 g/mol |
| SMILES |
C=1(S(=O)(=O)c2ccccc2)C=C(C(=O)OCC)C(=O)C=CC1 |
| SPLASH |
splash10-004j-3960000000-4795749bdb160e343a88 |
| Source of Spectrum |
J-56-6446-5 |
| Wiley ID |
1318262 |
