| SpectraBase Compound ID | 8oTW2HvcAuo |
|---|---|
| InChI | InChI=1S/C12H16O5/c1-5-17-12(13)8-6-7-9(14-2)11(16-4)10(8)15-3/h6-7H,5H2,1-4H3 |
| InChIKey | QTUNGESOZAVCDR-UHFFFAOYSA-N |
| Mol Weight | 240.25 g/mol |
| Molecular Formula | C12H16O5 |
| Exact Mass | 240.099774 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 | 7pn0AXQbp09 |
|---|---|
| Name | 2,3,4-Trimethoxybenzoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.099773610 u |
| Formula | C12H16O5 |
| InChI | InChI=1S/C12H16O5/c1-5-17-12(13)8-6-7-9(14-2)11(16-4)10(8)15-3/h6-7H,5H2,1-4H3 |
| InChIKey | QTUNGESOZAVCDR-UHFFFAOYSA-N |
| Molecular Weight | 240.255 g/mol |
| SMILES | C1(=C(C(OCC)=O)C=CC(=C1OC)OC)OC |