| SpectraBase Compound ID | EzZhVENbbwx |
|---|---|
| InChI | InChI=1S/C18H15NO4/c1-2-11-22-17(20)14-5-7-15(8-6-14)18(21)23-16-9-3-13(12-19)4-10-16/h3-10H,2,11H2,1H3 |
| InChIKey | MTJFNOUHFNHWIU-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C18H15NO4 |
| Exact Mass | 309.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyR9YWzbPER |
|---|---|
| Name | Terephthalic acid, 4-cyanophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.100107963 u |
| Formula | C18H15NO4 |
| InChI | InChI=1S/C18H15NO4/c1-2-11-22-17(20)14-5-7-15(8-6-14)18(21)23-16-9-3-13(12-19)4-10-16/h3-10H,2,11H2,1H3 |
| InChIKey | MTJFNOUHFNHWIU-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(OC1=CC=C(C=C1)C#N)=O |