![2-Keto-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid methyl ester](/api/spectrum/3R7aeVBc009/structure.png?h=300&w=458 "2-Keto-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid methyl ester")
| SpectraBase Compound ID | DDIFIPObozL |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-12-7-3-6-10-15(12)21-11-13-8-4-5-9-14(13)16(18)17(19)20-2/h3-10H,11H2,1-2H3 |
| InChIKey | DVQZMPYYTUUGAK-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3R7aeVBc009 |
|---|---|
| Name | 2-Keto-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-12-7-3-6-10-15(12)21-11-13-8-4-5-9-14(13)16(18)17(19)20-2/h3-10H,11H2,1-2H3 |
| InChIKey | DVQZMPYYTUUGAK-UHFFFAOYSA-N |
| SMILES | C(C=1C(COC=2C(C)=CC=CC2)=CC=CC1)(C(=O)OC)=O |