![Benzoic acid, 2-[2-(2-naphthalenyl)ethenyl]-, ethyl ester, (E)-](/api/spectrum/f58znM0P6n/structure.png?h=300&w=458 "Benzoic acid, 2-[2-(2-naphthalenyl)ethenyl]-, ethyl ester, (E)-")
| SpectraBase Compound ID | HllbvCNAf3w |
|---|---|
| InChI | InChI=1S/C21H18O2/c1-2-23-21(22)20-10-6-5-8-18(20)14-12-16-11-13-17-7-3-4-9-19(17)15-16/h3-15H,2H2,1H3/b14-12+ |
| InChIKey | PPGKMAILRWKCJU-WYMLVPIESA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C21H18O2 |
| Exact Mass | 302.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | f58znM0P6n |
|---|---|
| Name | Benzoic acid, 2-[2-(2-naphthalenyl)ethenyl]-, ethyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.130679818 u |
| Formula | C21H18O2 |
| InChI | InChI=1S/C21H18O2/c1-2-23-21(22)20-10-6-5-8-18(20)14-12-16-11-13-17-7-3-4-9-19(17)15-16/h3-15H,2H2,1H3/b14-12+ |
| InChIKey | PPGKMAILRWKCJU-WYMLVPIESA-N |
| SMILES | C(C=1C(\C=C\C=2C=C3C=CC=CC3=CC2)=CC=CC1)(=O)OCC |