| SpectraBase Compound ID | 8B6cjrZcQiA |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-8(2)12-7-13(17-10(4)15)9(3)6-14(12)18-11(5)16/h6-8H,1-5H3 |
| InChIKey | MINLIAGKAUYZPA-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 | 4pExO0p8IYm |
|---|---|
| Name | 2,5-Diacetoxy-1-methyl-4-isopropylbenzene |
| 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/c1-8(2)12-7-13(17-10(4)15)9(3)6-14(12)18-11(5)16/h6-8H,1-5H3 |
| InChIKey | MINLIAGKAUYZPA-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C=1(C(=CC(=C(C1)C)OC(=O)C)C(C)C)OC(=O)C |