| SpectraBase Compound ID | 9YQSQbxCTVW |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-5-7-10-8-12(14-3)13(15-4)9-11(10)16-6-2/h5,8-9H,1,6-7H2,2-4H3 |
| InChIKey | VHNNFIYJKKLTKR-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91llurhoQtl |
|---|---|
| Name | 1-Allyl-2-ethoxy-4,5-dimethoxy-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-5-7-10-8-12(14-3)13(15-4)9-11(10)16-6-2/h5,8-9H,1,6-7H2,2-4H3 |
| InChIKey | VHNNFIYJKKLTKR-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C=1C(=C(OC)C=C(C1OCC)CC=C)OC |