![2-[1-(6-Methoxy-2-naphthalenyl)ethyl]benzoic acid](/api/spectrum/FPLT5tnqQXt/structure.png?h=300&w=458 "2-[1-(6-Methoxy-2-naphthalenyl)ethyl]benzoic acid")
| SpectraBase Compound ID | 1W8IW92kKEd |
|---|---|
| InChI | InChI=1S/C20H18O3/c1-13(18-5-3-4-6-19(18)20(21)22)14-7-8-16-12-17(23-2)10-9-15(16)11-14/h3-13H,1-2H3,(H,21,22) |
| InChIKey | ASMHJXYQPNZVTN-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C20H18O3 |
| Exact Mass | 306.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPLT5tnqQXt |
|---|---|
| Name | 2-[1-(6-Methoxy-2-naphthalenyl)ethyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.125594437 u |
| Formula | C20H18O3 |
| InChI | InChI=1S/C20H18O3/c1-13(18-5-3-4-6-19(18)20(21)22)14-7-8-16-12-17(23-2)10-9-15(16)11-14/h3-13H,1-2H3,(H,21,22) |
| InChIKey | ASMHJXYQPNZVTN-UHFFFAOYSA-N |
| Molecular Weight | 306.361 g/mol |
| SMILES | C1(=CC2=C(C=C1)C=C(C=C2)C(C)C1=C(C=CC=C1)C(O)=O)OC |