| SpectraBase Compound ID | 10UbIAXSCHC |
|---|---|
| InChI | InChI=1S/C18H16O4/c1-13-7-3-5-9-15(13)21-17(19)11-12-18(20)22-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b12-11+ |
| InChIKey | NLDSUJXWACPZEO-VAWYXSNFSA-N |
| Mol Weight | 296.32 g/mol |
| Molecular Formula | C18H16O4 |
| Exact Mass | 296.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPSzxfTPaw1 |
|---|---|
| Name | Fumaric acid, di(2-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.104858991 u |
| Formula | C18H16O4 |
| InChI | InChI=1S/C18H16O4/c1-13-7-3-5-9-15(13)21-17(19)11-12-18(20)22-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b12-11+ |
| InChIKey | NLDSUJXWACPZEO-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OC1=CC=CC=C1C)=O)(OC=1C(C)=CC=CC1)=O |