![2,2-Dimethyl-5-[(methylthio)-phenyl-methylene]-1,3-dioxane-4,6-quinone](/api/spectrum/IU0F74w0KLV/structure.png?h=300&w=458 "2,2-Dimethyl-5-[(methylthio)-phenyl-methylene]-1,3-dioxane-4,6-quinone")
| SpectraBase Compound ID | E46wAVuGLjZ |
|---|---|
| InChI | InChI=1S/C14H14O4S/c1-14(2)17-12(15)10(13(16)18-14)11(19-3)9-7-5-4-6-8-9/h4-8H,1-3H3 |
| InChIKey | BDDVZMZOQVWWNO-UHFFFAOYSA-N |
| Mol Weight | 278.32 g/mol |
| Molecular Formula | C14H14O4S |
| Exact Mass | 278.06128 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 | IU0F74w0KLV |
|---|---|
| Name | 2,2-Dimethyl-5-[(methylthio)-phenyl-methylene]-1,3-dioxane-4,6-quinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.061280101 u |
| Formula | C14H14O4S |
| InChI | InChI=1S/C14H14O4S/c1-14(2)17-12(15)10(13(16)18-14)11(19-3)9-7-5-4-6-8-9/h4-8H,1-3H3 |
| InChIKey | BDDVZMZOQVWWNO-UHFFFAOYSA-N |
| SMILES | C1(C(OC(OC1=O)(C)C)=O)=C(C1=CC=CC=C1)SC |