| SpectraBase Compound ID | Lhfx0goUI6O |
|---|---|
| InChI | InChI=1S/C14H16N2.C2H2O4/c1-11-6-7-13(9-12(11)2)16-10-14-5-3-4-8-15-14;3-1(4)2(5)6/h3-9,16H,10H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | WOSHRLKAWGNWFK-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C16H18N2O4 |
| Exact Mass | 302.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AAx20d7h8Cs |
|---|---|
| Name | 3,4-Dimethyl-N-(2-pyridinylmethyl)aniline oxalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.126657064 u |
| Formula | C16H18N2O4 |
| InChI | InChI=1S/C14H16N2.C2H2O4/c1-11-6-7-13(9-12(11)2)16-10-14-5-3-4-8-15-14;3-1(4)2(5)6/h3-9,16H,10H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | WOSHRLKAWGNWFK-UHFFFAOYSA-N |
| Molecular Weight | 302.330 g/mol |
| SMILES | OC(C(O)=O)=O.N(C1=CC(=C(C=C1)C)C)CC=1N=CC=CC1 |