| SpectraBase Compound ID | JbPFA1L3cMc |
|---|---|
| InChI | InChI=1S/C15H16O2/c1-17-15(16)8-4-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11H,4-5,8H2,1H3 |
| InChIKey | HHBCKGMAZYXROM-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C15H16O2 |
| Exact Mass | 228.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QTWJNX5cCM |
|---|---|
| Name | 2-Naphthalenebutyric acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.115029753 u |
| Formula | C15H16O2 |
| InChI | InChI=1S/C15H16O2/c1-17-15(16)8-4-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11H,4-5,8H2,1H3 |
| InChIKey | HHBCKGMAZYXROM-UHFFFAOYSA-N |
| Molecular Weight | 228.291 g/mol |
| SMILES | C=12C=CC=CC1C=CC(=C2)CCCC(OC)=O |