| SpectraBase Compound ID | CAk1VwUQTNY |
|---|---|
| InChI | InChI=1S/C16H14O4S/c1-11(2)10-15(17)19-12-6-3-4-7-13(12)20-16(18)14-8-5-9-21-14/h3-10H,1-2H3 |
| InChIKey | CBRBIYGBIWLEMG-UHFFFAOYSA-N |
| Mol Weight | 302.34 g/mol |
| Molecular Formula | C16H14O4S |
| Exact Mass | 302.06128 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 | HCDIPeZ6cL6 |
|---|---|
| Name | 1,2-Benzenediol, o-(3-methylbut-2-enoyl)-o'-(2-thiophenylcarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.061280101 u |
| Formula | C16H14O4S |
| InChI | InChI=1S/C16H14O4S/c1-11(2)10-15(17)19-12-6-3-4-7-13(12)20-16(18)14-8-5-9-21-14/h3-10H,1-2H3 |
| InChIKey | CBRBIYGBIWLEMG-UHFFFAOYSA-N |
| Molecular Weight | 302.344 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C=1SC=CC1)OC(=O)C=C(C)C |