| SpectraBase Compound ID | 6YDvVaxl3jq |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | PHXKNFGHYDNWNB-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 | 71qiXKh3yNn |
|---|---|
| Name | 2'-Hydroxy-4'-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/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | PHXKNFGHYDNWNB-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C1(=C(C=C(C=C1)OC)OCCCC)C(=O)C |