![1,4-Pentanediamine, N-ethoxyacetyl-N'-[6-methoxy-8-quinolinyl]-](/api/spectrum/4JYdYbqUzm6/structure.png?h=300&w=458 "1,4-Pentanediamine, N-ethoxyacetyl-N'-[6-methoxy-8-quinolinyl]-")
| SpectraBase Compound ID | A3RNWf15dNg |
|---|---|
| InChI | InChI=1S/C19H27N3O3/c1-4-25-13-18(23)20-9-5-7-14(2)22-17-12-16(24-3)11-15-8-6-10-21-19(15)17/h6,8,10-12,14,22H,4-5,7,9,13H2,1-3H3,(H,20,23) |
| InChIKey | WMHDQJCOJAQWJU-UHFFFAOYSA-N |
| Mol Weight | 345.44 g/mol |
| Molecular Formula | C19H27N3O3 |
| Exact Mass | 345.205242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JYdYbqUzm6 |
|---|---|
| Name | 1,4-Pentanediamine, N-ethoxyacetyl-N'-[6-methoxy-8-quinolinyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.205241738 u |
| Formula | C19H27N3O3 |
| InChI | InChI=1S/C19H27N3O3/c1-4-25-13-18(23)20-9-5-7-14(2)22-17-12-16(24-3)11-15-8-6-10-21-19(15)17/h6,8,10-12,14,22H,4-5,7,9,13H2,1-3H3,(H,20,23) |
| InChIKey | WMHDQJCOJAQWJU-UHFFFAOYSA-N |
| Molecular Weight | 345.443 g/mol |
| SMILES | C1=C(C=C(C2=C1C=CC=N2)NC(C)CCCNC(COCC)=O)OC |