| SpectraBase Compound ID | 2R9J1GWIgx9 |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-11-5-13(19-2)10-16(6-11)22-17(18)12-7-14(20-3)9-15(8-12)21-4/h5-10H,1-4H3 |
| InChIKey | UGGVITWPKFHTSG-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C17H18O5 |
| Exact Mass | 302.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2tInAkzrik0 |
|---|---|
| Name | Benzoic acid, 3,5-dimethoxy-, 3-methoxy-5-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.115423675 u |
| Formula | C17H18O5 |
| InChI | InChI=1S/C17H18O5/c1-11-5-13(19-2)10-16(6-11)22-17(18)12-7-14(20-3)9-15(8-12)21-4/h5-10H,1-4H3 |
| InChIKey | UGGVITWPKFHTSG-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC(=C1)OC)OC)C(OC1=CC(=CC(=C1)C)OC)=O |