| SpectraBase Compound ID | 4b8RDzObzMS |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-6-7(2)10(13)8(3)11(15-4)9(6)12(14)16-5/h13H,1-5H3 |
| InChIKey | UCGSEFPFVKCJLI-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CipZPJ9OHo |
|---|---|
| Name | Benzoic acid, 4-hydroxy-2-methoxy-3,5,6-trimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-6-7(2)10(13)8(3)11(15-4)9(6)12(14)16-5/h13H,1-5H3 |
| InChIKey | UCGSEFPFVKCJLI-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C1(=C(C(=C(C(=C1O)C)C)C(OC)=O)OC)C |