| SpectraBase Compound ID | DTYY2kJEqaj |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-13(2)14(3)22-18(20)10-11-19(21)23-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3/b11-10+ |
| InChIKey | AOQROGSMGOYKKL-ZHACJKMWSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbaRwEdZ6Pz |
|---|---|
| Name | Fumaric acid, naphth-2-yl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-13(2)14(3)22-18(20)10-11-19(21)23-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3/b11-10+ |
| InChIKey | AOQROGSMGOYKKL-ZHACJKMWSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OC1=CC=C2C(=C1)C=CC=C2)=O |