| SpectraBase Compound ID | 12S39aiC9Fh |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-13(2)12-21-17(19)9-10-18(20)22-16-8-7-14-5-3-4-6-15(14)11-16/h3-11,13H,12H2,1-2H3/b10-9+ |
| InChIKey | QCYJLNAFKFCOST-MDZDMXLPSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GvJ0IM6NTtD |
|---|---|
| Name | Fumaric acid, isobutyl 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-13(2)12-21-17(19)9-10-18(20)22-16-8-7-14-5-3-4-6-15(14)11-16/h3-11,13H,12H2,1-2H3/b10-9+ |
| InChIKey | QCYJLNAFKFCOST-MDZDMXLPSA-N |
| SMILES | CC(C)COC(\C=C\C(OC1=CC2=C(C=CC=C2)C=C1)=O)=O |