| SpectraBase Compound ID | 1NFWTu2yd60 |
|---|---|
| InChI | InChI=1S/C14H15NO4/c1-2-18-13(16)4-3-5-14(17)19-12-8-6-11(10-15)7-9-12/h6-9H,2-5H2,1H3 |
| InChIKey | RJYLVFHPOHIKBX-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C14H15NO4 |
| Exact Mass | 261.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | l6A6ZdtqHf |
|---|---|
| Name | Glutaric acid, 4-cyanophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.100107963 u |
| Formula | C14H15NO4 |
| InChI | InChI=1S/C14H15NO4/c1-2-18-13(16)4-3-5-14(17)19-12-8-6-11(10-15)7-9-12/h6-9H,2-5H2,1H3 |
| InChIKey | RJYLVFHPOHIKBX-UHFFFAOYSA-N |
| Molecular Weight | 261.277 g/mol |
| SMILES | C(C1=CC=C(OC(=O)CCCC(OCC)=O)C=C1)#N |