| SpectraBase Compound ID | 4LRHeHTLGHX |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-4-5-12(3)10-16-14(15)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3 |
| InChIKey | AEQFYDMELOAHTJ-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 | 4XkM2u3ccu0 |
|---|---|
| Name | 4-Methylbenzoic acid, 2-methylpentyl ester |
| 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/c1-4-5-12(3)10-16-14(15)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3 |
| InChIKey | AEQFYDMELOAHTJ-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C(=O)OCC(CCC)C |