| SpectraBase Compound ID | DmEnneB6ZSm |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-5-6-7-10-8-12(15-3)13(16-4)9-11(10)14-2/h6-9H,5H2,1-4H3/b7-6+ |
| InChIKey | RWYFPZNSBWWHEI-VOTSOKGWSA-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 | DyYZkgDupjm |
|---|---|
| Name | (E)-1-(2,4,5-Trimethoxyphenyl)but-1-ene |
| 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/c1-5-6-7-10-8-12(15-3)13(16-4)9-11(10)14-2/h6-9H,5H2,1-4H3/b7-6+ |
| InChIKey | RWYFPZNSBWWHEI-VOTSOKGWSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | COC1=CC(OC)=C(OC)C=C1\C=C\CC |