| SpectraBase Compound ID | Hlny7caOrs4 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-4-5-10(2)16-13(14)11-6-8-12(15-3)9-7-11/h6-10H,4-5H2,1-3H3 |
| InChIKey | VFZJLJOHQLTMBG-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7VFyCXe550q |
|---|---|
| Name | 4-Methoxybenzoic acid, 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-4-5-10(2)16-13(14)11-6-8-12(15-3)9-7-11/h6-10H,4-5H2,1-3H3 |
| InChIKey | VFZJLJOHQLTMBG-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(OC(C=1C=CC(=CC1)OC)=O)(C)CCC |