| SpectraBase Compound ID | 6bsnXNFva0J |
|---|---|
| InChI | InChI=1S/C13H13NOS/c1-3-9-13(2)12(15)16-11(14-13)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3 |
| InChIKey | JGPYFPJLVGAHQR-UHFFFAOYSA-N |
| Mol Weight | 231.31 g/mol |
| Molecular Formula | C13H13NOS |
| Exact Mass | 231.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24Lo75ZxE5N |
|---|---|
| Name | 5(4H)-Thiazolone, 4-methyl-2-phenyl-4-(2-propenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.071785216 u |
| Formula | C13H13NOS |
| InChI | InChI=1S/C13H13NOS/c1-3-9-13(2)12(15)16-11(14-13)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3 |
| InChIKey | JGPYFPJLVGAHQR-UHFFFAOYSA-N |
| Molecular Weight | 231.313 g/mol |
| SMILES | C=1(SC(C(N1)(CC=C)C)=O)C=1C=CC=CC1 |