| SpectraBase Compound ID | 1AEgG5eB2EN |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-3-4-5-8-11-17-14(15)12-9-6-7-10-13(12)16-2/h6-7,9-10H,3-5,8,11H2,1-2H3 |
| InChIKey | UMXZQFHEWNEFNM-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Em64xWa7DrX |
|---|---|
| Name | Benzoic acid, 2-methoxy-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-3-4-5-8-11-17-14(15)12-9-6-7-10-13(12)16-2/h6-7,9-10H,3-5,8,11H2,1-2H3 |
| InChIKey | UMXZQFHEWNEFNM-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C(=O)(OCCCCCC)C=1C=CC=CC1OC |