![2-[6-(1-Hydroxy-1-methylethyl)naphthalen-2-yl]propanoic acid](/api/spectrum/EDsXV9Vxl0h/structure.png?h=300&w=458 "2-[6-(1-Hydroxy-1-methylethyl)naphthalen-2-yl]propanoic acid")
| SpectraBase Compound ID | 5vpQ9mvZzND |
|---|---|
| InChI | InChI=1S/C16H18O3/c1-10(15(17)18)11-4-5-13-9-14(16(2,3)19)7-6-12(13)8-11/h4-10,19H,1-3H3,(H,17,18) |
| InChIKey | MYSXCSAIPIKGCD-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C16H18O3 |
| Exact Mass | 258.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDsXV9Vxl0h |
|---|---|
| Name | 2-[6-(1-Hydroxy-1-methylethyl)naphthalen-2-yl]propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.125594437 u |
| Formula | C16H18O3 |
| InChI | InChI=1S/C16H18O3/c1-10(15(17)18)11-4-5-13-9-14(16(2,3)19)7-6-12(13)8-11/h4-10,19H,1-3H3,(H,17,18) |
| InChIKey | MYSXCSAIPIKGCD-UHFFFAOYSA-N |
| Molecular Weight | 258.317 g/mol |
| SMILES | C1=2C(=CC=C(C2)C(C)(O)C)C=C(C=C1)C(C)C(O)=O |