| SpectraBase Compound ID | OWPySpoBqT |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-2-7-14-11-8-12(15)9-5-3-4-6-10(9)13(11)16/h3-6,8,14H,2,7H2,1H3 |
| InChIKey | MKSULDSEQKGEEL-UHFFFAOYSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ATh7gZPWcY |
|---|---|
| Name | 2-(Propylamino)naphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c1-2-7-14-11-8-12(15)9-5-3-4-6-10(9)13(11)16/h3-6,8,14H,2,7H2,1H3 |
| InChIKey | MKSULDSEQKGEEL-UHFFFAOYSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | C12=CC=CC=C2C(C=C(C1=O)NCCC)=O |