| SpectraBase Compound ID | CUFBcQrgsJ4 |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-11-8-9-13(10-12(11)2)19-16(17)14-6-4-5-7-15(14)18-3/h4-10H,1-3H3 |
| InChIKey | ZDESIIAQOQRCMB-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CoSR9lXsLhB |
|---|---|
| Name | 2-Methoxybenzoic acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-11-8-9-13(10-12(11)2)19-16(17)14-6-4-5-7-15(14)18-3/h4-10H,1-3H3 |
| InChIKey | ZDESIIAQOQRCMB-UHFFFAOYSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | CC1=CC=C(OC(C2=C(C=CC=C2)OC)=O)C=C1C |