| SpectraBase Compound ID | 4kyCSQ5MW5J |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-10(2)7-8-16-11-5-6-12(14-3)13(9-11)15-4/h5-6,9-10H,7-8H2,1-4H3 |
| InChIKey | WECIQYLUOSYKSE-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEcZUYrAmXZ |
|---|---|
| Name | 3,4-Dimethoxyphenol, 3-methylbutyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-10(2)7-8-16-11-5-6-12(14-3)13(9-11)15-4/h5-6,9-10H,7-8H2,1-4H3 |
| InChIKey | WECIQYLUOSYKSE-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C1=C(C(=CC=C1OCCC(C)C)OC)OC |