| SpectraBase Compound ID | 9RWI3ubNXiD |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-3-4-5-6-8-12-9-7-10-13(11-12)14(15)16-2/h7,9-11H,3-6,8H2,1-2H3 |
| InChIKey | WRWOQGSSPWOREJ-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 | 5hUFkxQjRfv |
|---|---|
| Name | Methyl-3-N-hexylbenzoate |
| 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/c1-3-4-5-6-8-12-9-7-10-13(11-12)14(15)16-2/h7,9-11H,3-6,8H2,1-2H3 |
| InChIKey | WRWOQGSSPWOREJ-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OC)=O)CCCCCC |