| SpectraBase Compound ID | E2tBPh35tCY |
|---|---|
| InChI | InChI=1S/C18H14O6/c1-3-11-22-18(20)24-14-8-6-7-13(12-14)23-17(19)15-9-4-5-10-16(15)21-2/h1,4-10,12H,11H2,2H3 |
| InChIKey | VSORXYWTQVPACP-UHFFFAOYSA-N |
| Mol Weight | 326.3 g/mol |
| Molecular Formula | C18H14O6 |
| Exact Mass | 326.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APQAHLpSULX |
|---|---|
| Name | 1,3-Benzenediol, o-(2-methoxybenzoyl)-o'-propargyloxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.079038165 u |
| Formula | C18H14O6 |
| InChI | InChI=1S/C18H14O6/c1-3-11-22-18(20)24-14-8-6-7-13(12-14)23-17(19)15-9-4-5-10-16(15)21-2/h1,4-10,12H,11H2,2H3 |
| InChIKey | VSORXYWTQVPACP-UHFFFAOYSA-N |
| Molecular Weight | 326.304 g/mol |
| SMILES | C1=C(C=CC=C1OC(=O)C1=CC=CC=C1OC)OC(=O)OCC#C |