| SpectraBase Compound ID | 1yzxuOtaFEF |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-17(2,11-16(19)20)10-15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10-11H2,1-2H3,(H,19,20) |
| InChIKey | USXGZOKQYIHPDC-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2lzDh0lJxPK |
|---|---|
| Name | 2-Naphthalenepentanoic acid, .beta.,.beta.-dimethyl-.delta.-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-17(2,11-16(19)20)10-15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10-11H2,1-2H3,(H,19,20) |
| InChIKey | USXGZOKQYIHPDC-UHFFFAOYSA-N |
| SMILES | C(C=1C=C2C=CC=CC2=CC1)(CC(CC(=O)O)(C)C)=O |