| SpectraBase Compound ID | RjNYzBX65h |
|---|---|
| InChI | InChI=1S/C19H25NO4/c1-15(2)6-5-13-23-18(21)7-3-4-8-19(22)24-17-11-9-16(14-20)10-12-17/h9-12,15H,3-8,13H2,1-2H3 |
| InChIKey | PGSFGZKKQAXSQQ-UHFFFAOYSA-N |
| Mol Weight | 331.41 g/mol |
| Molecular Formula | C19H25NO4 |
| Exact Mass | 331.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsvmucPbTW9 |
|---|---|
| Name | Adipic acid, 4-cyanophenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.178358285 u |
| Formula | C19H25NO4 |
| InChI | InChI=1S/C19H25NO4/c1-15(2)6-5-13-23-18(21)7-3-4-8-19(22)24-17-11-9-16(14-20)10-12-17/h9-12,15H,3-8,13H2,1-2H3 |
| InChIKey | PGSFGZKKQAXSQQ-UHFFFAOYSA-N |
| Molecular Weight | 331.412 g/mol |
| SMILES | C(=O)(CCCCC(OCCCC(C)C)=O)OC1=CC=C(C=C1)C#N |