![4-Spiro[1,3-dihydroquinazoline-2,1'-cyclododecane]one](/api/spectrum/7iVkcaU8nce/structure.png?h=300&w=458 "4-Spiro[1,3-dihydroquinazoline-2,1'-cyclododecane]one")
| SpectraBase Compound ID | CrL0zy2Noct |
|---|---|
| InChI | InChI=1S/C19H28N2O/c22-18-16-12-8-9-13-17(16)20-19(21-18)14-10-6-4-2-1-3-5-7-11-15-19/h8-9,12-13,20H,1-7,10-11,14-15H2,(H,21,22) |
| InChIKey | PPYRYMMNJAVPIN-UHFFFAOYSA-N |
| Mol Weight | 300.45 g/mol |
| Molecular Formula | C19H28N2O |
| Exact Mass | 300.220164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7iVkcaU8nce |
|---|---|
| Name | 4-Spiro[1,3-dihydroquinazoline-2,1'-cyclododecane]one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.220163529 u |
| Formula | C19H28N2O |
| InChI | InChI=1S/C19H28N2O/c22-18-16-12-8-9-13-17(16)20-19(21-18)14-10-6-4-2-1-3-5-7-11-15-19/h8-9,12-13,20H,1-7,10-11,14-15H2,(H,21,22) |
| InChIKey | PPYRYMMNJAVPIN-UHFFFAOYSA-N |
| SMILES | C1(NC2(CCCCCCCCCCC2)NC=2C1=CC=CC2)=O |