| SpectraBase Compound ID | IaXrtko4PX0 |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-3-4-5-8-16(2)24-20(22)13-14-21(23)25-19-12-11-17-9-6-7-10-18(17)15-19/h6-7,9-16H,3-5,8H2,1-2H3/b14-13+ |
| InChIKey | PBPKONUILXVONK-BUHFOSPRSA-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 | 3tXwLv7xowC |
|---|---|
| Name | Fumaric acid, naphth-2-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/c1-3-4-5-8-16(2)24-20(22)13-14-21(23)25-19-12-11-17-9-6-7-10-18(17)15-19/h6-7,9-16H,3-5,8H2,1-2H3/b14-13+ |
| InChIKey | PBPKONUILXVONK-BUHFOSPRSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OC1=CC=C2C(=C1)C=CC=C2)=O |