![2-[4-(Hexyloxy)phenyl]acetic acid, methyl ester](/api/spectrum/B1lh9xQynjF/structure.png?h=300&w=458 "2-[4-(Hexyloxy)phenyl]acetic acid, methyl ester")
| SpectraBase Compound ID | KIbHkj4zXTw |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-3-4-5-6-11-18-14-9-7-13(8-10-14)12-15(16)17-2/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | IUUJCAOZWVHINB-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1lh9xQynjF |
|---|---|
| Name | 2-[4-(Hexyloxy)phenyl]acetic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-3-4-5-6-11-18-14-9-7-13(8-10-14)12-15(16)17-2/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | IUUJCAOZWVHINB-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C(OC1=CC=C(C=C1)CC(=O)OC)CCCCC |