| SpectraBase Compound ID | HFVeUadN3Ng |
|---|---|
| InChI | InChI=1S/C18H22O2/c1-4-17(13(2)3)20-18(19)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13,17H,4,12H2,1-3H3 |
| InChIKey | MCKBYDBUXYJHRK-UHFFFAOYSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C18H22O2 |
| Exact Mass | 270.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEMMEsmmCLT |
|---|---|
| Name | 1-Naphthaleneacetic acid, 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.161979946 u |
| Formula | C18H22O2 |
| InChI | InChI=1S/C18H22O2/c1-4-17(13(2)3)20-18(19)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13,17H,4,12H2,1-3H3 |
| InChIKey | MCKBYDBUXYJHRK-UHFFFAOYSA-N |
| Molecular Weight | 270.372 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=CC=C2)CC(=O)OC(CC)C(C)C |