| SpectraBase Compound ID | CzywX0n5Jki |
|---|---|
| InChI | InChI=1S/C20H12O2S/c21-20-15-8-2-1-7-13(15)18(22-20)16-10-5-9-14-12-6-3-4-11-17(12)23-19(14)16/h1-11,18H |
| InChIKey | UQHGWXJNNAIQLN-UHFFFAOYSA-N |
| Mol Weight | 316.37 g/mol |
| Molecular Formula | C20H12O2S |
| Exact Mass | 316.055801 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 | F6epDALVRYT |
|---|---|
| Name | 3-(4-Dibenzothiophenyl)-3H-isobenzofuran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.055800798 u |
| Formula | C20H12O2S |
| InChI | InChI=1S/C20H12O2S/c21-20-15-8-2-1-7-13(15)18(22-20)16-10-5-9-14-12-6-3-4-11-17(12)23-19(14)16/h1-11,18H |
| InChIKey | UQHGWXJNNAIQLN-UHFFFAOYSA-N |
| Molecular Weight | 316.374 g/mol |
| SMILES | C=12SC3=CC=CC=C3C2=CC=CC1C1OC(=O)C2=C1C=CC=C2 |