| SpectraBase Compound ID | 3mIiXBx1Ts3 |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-11(2)12(3)18-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,1-3H3 |
| InChIKey | PQKGZEVLVXYLPG-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 | DDDSWp86Myj |
|---|---|
| Name | 1-Naphthoic acid, 3-methylbut-2-yl 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/c1-11(2)12(3)18-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,1-3H3 |
| InChIKey | PQKGZEVLVXYLPG-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C12=CC=CC=C2C(=CC=C1)C(=O)OC(C(C)C)C |