| SpectraBase Compound ID | EpUp3q07BYu |
|---|---|
| InChI | InChI=1S/C19H14N2O4/c20-12-14-4-8-16(9-5-14)24-18(22)2-1-3-19(23)25-17-10-6-15(13-21)7-11-17/h4-11H,1-3H2 |
| InChIKey | GQADUDRHRQFMRI-UHFFFAOYSA-N |
| Mol Weight | 334.33 g/mol |
| Molecular Formula | C19H14N2O4 |
| Exact Mass | 334.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hII1p4qMKS |
|---|---|
| Name | Glutaric acid, di(4-cyanophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.095356935 u |
| Formula | C19H14N2O4 |
| InChI | InChI=1S/C19H14N2O4/c20-12-14-4-8-16(9-5-14)24-18(22)2-1-3-19(23)25-17-10-6-15(13-21)7-11-17/h4-11H,1-3H2 |
| InChIKey | GQADUDRHRQFMRI-UHFFFAOYSA-N |
| Molecular Weight | 334.331 g/mol |
| SMILES | C(C1=CC=C(C=C1)OC(CCCC(OC1=CC=C(C=C1)C#N)=O)=O)#N |