| SpectraBase Compound ID | B3TaMBoKlSc |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-4-6-11-8-9-12(7-5-2)13(10-11)14(15)16-3/h8-10H,4-7H2,1-3H3 |
| InChIKey | MBTLXFHFAPQDMU-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 | IAE098hRRWN |
|---|---|
| Name | Methyl 2,5-di-propylbenzoate |
| 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/c1-4-6-11-8-9-12(7-5-2)13(10-11)14(15)16-3/h8-10H,4-7H2,1-3H3 |
| InChIKey | MBTLXFHFAPQDMU-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C=1(C(=O)OC)C(=CC=C(C1)CCC)CCC |