| SpectraBase Compound ID | 76wnUhJk52H |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-12(2)11-18-16(17)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,10-11H2,1-2H3 |
| InChIKey | AQLLHLGWSOYTKT-UHFFFAOYSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kbamJj9DRV |
|---|---|
| Name | 1-Naphthaleneacetic acid, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c1-12(2)11-18-16(17)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,10-11H2,1-2H3 |
| InChIKey | AQLLHLGWSOYTKT-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=CC=C2)CC(=O)OCC(C)C |