![3,11-Diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-4-one, 11-(2-hydroxyethyl)-](/api/spectrum/GQawSypGp0R/structure.png?h=300&w=458 "3,11-Diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-4-one, 11-(2-hydroxyethyl)-")
| SpectraBase Compound ID | 3pQ976HkJGf |
|---|---|
| InChI | InChI=1S/C13H18N2O2/c16-5-4-14-7-10-6-11(9-14)12-2-1-3-13(17)15(12)8-10/h1-3,10-11,16H,4-9H2 |
| InChIKey | YACCDFQYQYSQKW-UHFFFAOYSA-N |
| Mol Weight | 234.3 g/mol |
| Molecular Formula | C13H18N2O2 |
| Exact Mass | 234.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQawSypGp0R |
|---|---|
| Name | 3,11-Diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-4-one, 11-(2-hydroxyethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.136827826 u |
| Formula | C13H18N2O2 |
| InChI | InChI=1S/C13H18N2O2/c16-5-4-14-7-10-6-11(9-14)12-2-1-3-13(17)15(12)8-10/h1-3,10-11,16H,4-9H2 |
| InChIKey | YACCDFQYQYSQKW-UHFFFAOYSA-N |
| Molecular Weight | 234.299 g/mol |
| SMILES | C(O)CN1CC2CN3C(C(C1)C2)=CC=CC3=O |