| SpectraBase Compound ID | 4z9HbQhpKYw |
|---|---|
| InChI | InChI=1S/C16H18N2O2/c19-14-10-13(18-11-6-3-1-2-4-7-11)16(20)12-8-5-9-17-15(12)14/h5,8-11,18H,1-4,6-7H2 |
| InChIKey | BCEODAJTUPYUJT-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C16H18N2O2 |
| Exact Mass | 270.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2kqr9HpP5V |
|---|---|
| Name | 6-Cycloheptylamino-5,8-quinolinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.136827826 u |
| Formula | C16H18N2O2 |
| InChI | InChI=1S/C16H18N2O2/c19-14-10-13(18-11-6-3-1-2-4-7-11)16(20)12-8-5-9-17-15(12)14/h5,8-11,18H,1-4,6-7H2 |
| InChIKey | BCEODAJTUPYUJT-UHFFFAOYSA-N |
| SMILES | C1CCCCCC1NC1=CC(C2=NC=CC=C2C1=O)=O |