| SpectraBase Compound ID | DUf2AXkvOJO |
|---|---|
| InChI | InChI=1S/C17H20O2/c1-3-7-13(2)12-19-17(18)16-11-6-9-14-8-4-5-10-15(14)16/h4-6,8-11,13H,3,7,12H2,1-2H3 |
| InChIKey | IQBIVYNIHNPLJH-UHFFFAOYSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C17H20O2 |
| Exact Mass | 256.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7W38hQM5SyU |
|---|---|
| Name | 1-Naphthoic acid, 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.146329882 u |
| Formula | C17H20O2 |
| InChI | InChI=1S/C17H20O2/c1-3-7-13(2)12-19-17(18)16-11-6-9-14-8-4-5-10-15(14)16/h4-6,8-11,13H,3,7,12H2,1-2H3 |
| InChIKey | IQBIVYNIHNPLJH-UHFFFAOYSA-N |
| Molecular Weight | 256.345 g/mol |
| SMILES | C12=CC=CC=C2C(=CC=C1)C(=O)OCC(CCC)C |