| SpectraBase Compound ID | 5XgGIT8QGKD |
|---|---|
| InChI | InChI=1S/C20H19NO4/c1-3-6-14(2)24-19(22)17-7-4-5-8-18(17)20(23)25-16-11-9-15(13-21)10-12-16/h4-5,7-12,14H,3,6H2,1-2H3 |
| InChIKey | BVLPSNCXANEBBV-UHFFFAOYSA-N |
| Mol Weight | 337.38 g/mol |
| Molecular Formula | C20H19NO4 |
| Exact Mass | 337.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsZLkrnVRPo |
|---|---|
| Name | Phthalic acid, 4-cyanophenyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.131408092 u |
| Formula | C20H19NO4 |
| InChI | InChI=1S/C20H19NO4/c1-3-6-14(2)24-19(22)17-7-4-5-8-18(17)20(23)25-16-11-9-15(13-21)10-12-16/h4-5,7-12,14H,3,6H2,1-2H3 |
| InChIKey | BVLPSNCXANEBBV-UHFFFAOYSA-N |
| Molecular Weight | 337.375 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(C)CCC)=O)C(OC1=CC=C(C=C1)C#N)=O |