| SpectraBase Compound ID | CjzpT9zU3Gs |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-4-5-8-16-12-7-6-11(10(2)14)9-13(12)15-3/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | QOKHMJFNZKKYGC-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 | IWL28ZhHn8i |
|---|---|
| Name | 4'-Hydroxy-3'-methoxyacetophenone, butyl ether |
| 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/c1-4-5-8-16-12-7-6-11(10(2)14)9-13(12)15-3/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | QOKHMJFNZKKYGC-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C1(=CC(OC)=C(C=C1)OCCCC)C(=O)C |