![2-[N-Phenethylamino]-1,4-naphthoquinone](/api/spectrum/CnJSRWTyual/structure.png?h=300&w=458 "2-[N-Phenethylamino]-1,4-naphthoquinone")
| SpectraBase Compound ID | VyWPsoqpIB |
|---|---|
| InChI | InChI=1S/C18H15NO2/c20-17-12-16(18(21)15-9-5-4-8-14(15)17)19-11-10-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2 |
| InChIKey | UTTUTHLCEQWYEB-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 | CnJSRWTyual |
|---|---|
| Name | 2-[N-Phenethylamino]-1,4-naphthoquinone |
| 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/c20-17-12-16(18(21)15-9-5-4-8-14(15)17)19-11-10-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2 |
| InChIKey | UTTUTHLCEQWYEB-UHFFFAOYSA-N |
| SMILES | C1(=CC(C=2C(C1=O)=CC=CC2)=O)NCCC1=CC=CC=C1 |