![2-{[(4-methylphenyl)methyl]amino}naphthalene-1,4-dione](/api/spectrum/KTzmBWrSXzd/structure.png?h=300&w=458 "2-{[(4-methylphenyl)methyl]amino}naphthalene-1,4-dione")
| SpectraBase Compound ID | BNYQCcTuLBN |
|---|---|
| InChI | InChI=1S/C18H15NO2/c1-12-6-8-13(9-7-12)11-19-16-10-17(20)14-4-2-3-5-15(14)18(16)21/h2-10,19H,11H2,1H3 |
| InChIKey | JDFQGKLNEOIQIG-UHFFFAOYSA-N |
| Mol Weight | 277.32 g/mol |
| Molecular Formula | C18H15NO2 |
| Exact Mass | 277.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTzmBWrSXzd |
|---|---|
| Name | 2-{[(4-methylphenyl)methyl]amino}naphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.110278725 u |
| Formula | C18H15NO2 |
| InChI | InChI=1S/C18H15NO2/c1-12-6-8-13(9-7-12)11-19-16-10-17(20)14-4-2-3-5-15(14)18(16)21/h2-10,19H,11H2,1H3 |
| InChIKey | JDFQGKLNEOIQIG-UHFFFAOYSA-N |
| SMILES | C1=CC=CC2=C1C(C=C(C2=O)NCC1=CC=C(C=C1)C)=O |