| SpectraBase Compound ID | 384wMZr9F7 |
|---|---|
| InChI | InChI=1S/C14H18N2O3/c1-9-6-10(4-5-12(9)19-3)7-11-14(18)16(2)8-13(17)15-11/h4-6,11H,7-8H2,1-3H3,(H,15,17) |
| InChIKey | CYNYFRSUXFTQNF-UHFFFAOYSA-N |
| Mol Weight | 262.31 g/mol |
| Molecular Formula | C14H18N2O3 |
| Exact Mass | 262.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIGr65FZIdj |
|---|---|
| Name | 3-(4-Methoxy-3-methyl-benzyl)-1-methyl-piperazine-2,5-quinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.131742445 u |
| Formula | C14H18N2O3 |
| InChI | InChI=1S/C14H18N2O3/c1-9-6-10(4-5-12(9)19-3)7-11-14(18)16(2)8-13(17)15-11/h4-6,11H,7-8H2,1-3H3,(H,15,17) |
| InChIKey | CYNYFRSUXFTQNF-UHFFFAOYSA-N |
| Molecular Weight | 262.309 g/mol |
| SMILES | C1(N(CC(NC1CC1=CC(C)=C(C=C1)OC)=O)C)=O |