![Benzeneacetic acid, 2-[(2,4-dimethylphenoxy)methyl]-alpha-oxo-,methyl ester](/api/spectrum/EmHeRAIeBoM/structure.png?h=300&w=458 "Benzeneacetic acid, 2-[(2,4-dimethylphenoxy)methyl]-alpha-oxo-,methyl ester")
| SpectraBase Compound ID | 79fkEv3eHHY |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-12-8-9-16(13(2)10-12)22-11-14-6-4-5-7-15(14)17(19)18(20)21-3/h4-10H,11H2,1-3H3 |
| InChIKey | DLIQQCPRDSZBEF-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmHeRAIeBoM |
|---|---|
| Name | Benzeneacetic acid, 2-[(2,4-dimethylphenoxy)methyl]-alpha-oxo-,methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-12-8-9-16(13(2)10-12)22-11-14-6-4-5-7-15(14)17(19)18(20)21-3/h4-10H,11H2,1-3H3 |
| InChIKey | DLIQQCPRDSZBEF-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC(=C1)C)C)OCC=1C(=CC=CC1)C(C(OC)=O)=O |