| SpectraBase Compound ID | 6knORAtiNYS |
|---|---|
| InChI | InChI=1S/C17H25NO5/c19-15-16-1-3-17(4-2-16)18-5-7-20-9-11-22-13-14-23-12-10-21-8-6-18/h1-4,15H,5-14H2 |
| InChIKey | KSAPULJIFBTZLY-UHFFFAOYSA-N |
| Mol Weight | 323.39 g/mol |
| Molecular Formula | C17H25NO5 |
| Exact Mass | 323.173273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72dpHqBA4OM |
|---|---|
| Name | 4-(1,4,7,10-Tetraoxa-13-aza-cyclopentadec-13-yl)-benzaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.173272904 u |
| Formula | C17H25NO5 |
| InChI | InChI=1S/C17H25NO5/c19-15-16-1-3-17(4-2-16)18-5-7-20-9-11-22-13-14-23-12-10-21-8-6-18/h1-4,15H,5-14H2 |
| InChIKey | KSAPULJIFBTZLY-UHFFFAOYSA-N |
| Molecular Weight | 323.389 g/mol |
| SMILES | C1(N2CCOCCOCCOCCOCC2)=CC=C(C=O)C=C1 |