| SpectraBase Compound ID | 3UMyA8SMDVL |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-15-10-7-3-5-9(12(10)16-2)6-4-8-11(13)14/h3,5,7H,4,6,8H2,1-2H3,(H,13,14) |
| InChIKey | FRSUGDIFUQSGOL-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaNSWvRx8YW |
|---|---|
| Name | Benzenebutyric acid, 2,3-dimethoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-15-10-7-3-5-9(12(10)16-2)6-4-8-11(13)14/h3,5,7H,4,6,8H2,1-2H3,(H,13,14) |
| InChIKey | FRSUGDIFUQSGOL-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C1=C(C(=C(C=C1)OC)OC)CCCC(O)=O |