| SpectraBase Compound ID | 2Tzmk4SSyu4 |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-8(2)15-12(14)10-4-6-11(7-5-10)16-9(3)13/h4-8H,1-3H3 |
| InChIKey | PUUGJQYFLLDSOH-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcK1y0usR4r |
|---|---|
| Name | Isopropyl 4-acetoxybenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-8(2)15-12(14)10-4-6-11(7-5-10)16-9(3)13/h4-8H,1-3H3 |
| InChIKey | PUUGJQYFLLDSOH-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(=O)C)C(OC(C)C)=O |