| SpectraBase Compound ID | IPQgG2q8RMI |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-3-4-5-9-16(2)24-20(22)14-15-21(23)25-19-13-8-11-17-10-6-7-12-18(17)19/h6-8,10-16H,3-5,9H2,1-2H3/b15-14+ |
| InChIKey | FZEHQDCMQZUIFB-CCEZHUSRSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vFyk0Cv68h |
|---|---|
| Name | Fumaric acid, naphth-1-yl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-3-4-5-9-16(2)24-20(22)14-15-21(23)25-19-13-8-11-17-10-6-7-12-18(17)19/h6-8,10-16H,3-5,9H2,1-2H3/b15-14+ |
| InChIKey | FZEHQDCMQZUIFB-CCEZHUSRSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OC1=CC=CC2=C1C=CC=C2)=O |