| SpectraBase Compound ID | 3pWr2e3FnXf |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-5-16-13(14)10-6-7-11(17-9(2)3)12(8-10)15-4/h6-9H,5H2,1-4H3 |
| InChIKey | AFUNWYQIVFGJJV-UHFFFAOYSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXWOHHPxdJM |
|---|---|
| Name | Ethyl vanillate, isopropyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-5-16-13(14)10-6-7-11(17-9(2)3)12(8-10)15-4/h6-9H,5H2,1-4H3 |
| InChIKey | AFUNWYQIVFGJJV-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C1=C(OC(C)C)C(=CC(=C1)C(OCC)=O)OC |