| SpectraBase Compound ID | JNgtEdSUvVU |
|---|---|
| InChI | InChI=1S/C18H20N2O4/c21-17(23-13-15-5-3-9-19-11-15)7-1-2-8-18(22)24-14-16-6-4-10-20-12-16/h3-6,9-12H,1-2,7-8,13-14H2 |
| InChIKey | GPWDGDXGDPRIDG-UHFFFAOYSA-N |
| Mol Weight | 328.37 g/mol |
| Molecular Formula | C18H20N2O4 |
| Exact Mass | 328.142307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Asf1pycjTbV |
|---|---|
| Name | 1,6-Hexanedioic acid dipicolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.142307128 u |
| Formula | C18H20N2O4 |
| InChI | InChI=1S/C18H20N2O4/c21-17(23-13-15-5-3-9-19-11-15)7-1-2-8-18(22)24-14-16-6-4-10-20-12-16/h3-6,9-12H,1-2,7-8,13-14H2 |
| InChIKey | GPWDGDXGDPRIDG-UHFFFAOYSA-N |
| Molecular Weight | 328.368 g/mol |
| SMILES | C(OCC1=CN=CC=C1)(CCCCC(OCC1=CN=CC=C1)=O)=O |