| SpectraBase Compound ID | 3S3LjspfS8W |
|---|---|
| InChI | InChI=1S/C17H20O2/c1-2-3-13-19-17(18)12-11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,2-3,11-13H2,1H3 |
| InChIKey | GVFULVDWKUDESW-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 | L94FAyysctX |
|---|---|
| Name | Butyl naphthalene-1-propanoate |
| 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/c1-2-3-13-19-17(18)12-11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,2-3,11-13H2,1H3 |
| InChIKey | GVFULVDWKUDESW-UHFFFAOYSA-N |
| Molecular Weight | 256.345 g/mol |
| SMILES | C=1(C=CC=C2C=CC=CC12)CCC(=O)OCCCC |