![4-[(Benzo[B]thien-3-yl)methylene]-2-phenyl-2-oxazolin-5-one](/api/spectrum/FGMwBYoLyIi/structure.png?h=300&w=458 "4-[(Benzo[B]thien-3-yl)methylene]-2-phenyl-2-oxazolin-5-one")
| SpectraBase Compound ID | JJ1TSX06fnu |
|---|---|
| InChI | InChI=1S/C18H11NO2S/c20-18-15(19-17(21-18)12-6-2-1-3-7-12)10-13-11-22-16-9-5-4-8-14(13)16/h1-11H |
| InChIKey | AVGDAEKIYMPBGC-UHFFFAOYSA-N |
| Mol Weight | 305.35 g/mol |
| Molecular Formula | C18H11NO2S |
| Exact Mass | 305.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGMwBYoLyIi |
|---|---|
| Name | 4-[(Benzo[B]thien-3-yl)methylene]-2-phenyl-2-oxazolin-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.051049770 u |
| Formula | C18H11NO2S |
| InChI | InChI=1S/C18H11NO2S/c20-18-15(19-17(21-18)12-6-2-1-3-7-12)10-13-11-22-16-9-5-4-8-14(13)16/h1-11H |
| InChIKey | AVGDAEKIYMPBGC-UHFFFAOYSA-N |
| Molecular Weight | 305.351 g/mol |
| SMILES | C=12C=CC=CC1SC=C2C=C1N=C(OC1=O)C=1C=CC=CC1 |