| SpectraBase Compound ID | JpI07ekRR9Z |
|---|---|
| InChI | InChI=1S/C18H18O2S/c1-11-10-16(12(2)21-11)15-8-9-17(19)18(15)13-4-6-14(20-3)7-5-13/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | UIWWLKJWVIWBCR-UHFFFAOYSA-N |
| Mol Weight | 298.4 g/mol |
| Molecular Formula | C18H18O2S |
| Exact Mass | 298.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 12Wsav7Gxlt |
|---|---|
| Name | 3-(2,5-Dimethylthiophen-3-yl)-2-(4-methoxyphenyl)cyclopent-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.102750992 u |
| Formula | C18H18O2S |
| InChI | InChI=1S/C18H18O2S/c1-11-10-16(12(2)21-11)15-8-9-17(19)18(15)13-4-6-14(20-3)7-5-13/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | UIWWLKJWVIWBCR-UHFFFAOYSA-N |
| Molecular Weight | 298.400 g/mol |
| SMILES | C=1(C=C(C)SC1C)C=1CCC(C1C1=CC=C(C=C1)OC)=O |