![Benzeneacetic acid, 2-[(4-chlorophenyl)methoxy]-alpha-oxo-, methyl ester](/api/spectrum/1kqkIpOR116/structure.png?h=300&w=458 "Benzeneacetic acid, 2-[(4-chlorophenyl)methoxy]-alpha-oxo-, methyl ester")
| SpectraBase Compound ID | LAqFbjMTWY3 |
|---|---|
| InChI | InChI=1S/C16H13ClO4/c1-20-16(19)15(18)13-4-2-3-5-14(13)21-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3 |
| InChIKey | FWICEDRVDWWOKC-UHFFFAOYSA-N |
| Mol Weight | 304.73 g/mol |
| Molecular Formula | C16H13ClO4 |
| Exact Mass | 304.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kqkIpOR116 |
|---|---|
| Name | Benzeneacetic acid, 2-[(4-chlorophenyl)methoxy]-alpha-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.050236595 u |
| Formula | C16H13ClO4 |
| InChI | InChI=1S/C16H13ClO4/c1-20-16(19)15(18)13-4-2-3-5-14(13)21-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3 |
| InChIKey | FWICEDRVDWWOKC-UHFFFAOYSA-N |
| Molecular Weight | 304.729 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)COC1=CC=CC=C1C(C(OC)=O)=O |