| SpectraBase Compound ID | 1szC7qgMpY4 |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-4-5-16-12(14)11-8(2)6-9(15-3)7-10(11)13/h6-7,13H,4-5H2,1-3H3 |
| InChIKey | LCPRSHPZBRBFJG-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 | Ese9b9sD9ya |
|---|---|
| Name | Propyl 2-hydroxy-4-methoxy-6-methylbenzoate |
| 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/c1-4-5-16-12(14)11-8(2)6-9(15-3)7-10(11)13/h6-7,13H,4-5H2,1-3H3 |
| InChIKey | LCPRSHPZBRBFJG-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C(C1=C(C=C(C=C1C)OC)O)(=O)OCCC |