| SpectraBase Compound ID | KgjfbaowlGa |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-4-5-6-12-7-9-13(10-8-12)14(15)16-11(2)3/h7-11H,4-6H2,1-3H3 |
| InChIKey | OQTSQTBIPUQSPV-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bQXbvCYeE4 |
|---|---|
| Name | Isopropyl 4-butylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-4-5-6-12-7-9-13(10-8-12)14(15)16-11(2)3/h7-11H,4-6H2,1-3H3 |
| InChIKey | OQTSQTBIPUQSPV-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C=1(C(OC(C)C)=O)C=CC(=CC1)CCCC |