| SpectraBase Compound ID | 9uaSGKAUEhA |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-9(15)10-6-7-11(17-5)12(8-10)18-13(16)14(2,3)4/h6-8H,1-5H3 |
| InChIKey | NUVDXGHFHFZSLF-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APmhK6xMcnF |
|---|---|
| Name | Acetoisovanillone, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-9(15)10-6-7-11(17-5)12(8-10)18-13(16)14(2,3)4/h6-8H,1-5H3 |
| InChIKey | NUVDXGHFHFZSLF-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C(C)(=O)C1=CC(OC(C(C)(C)C)=O)=C(C=C1)OC |