![10-[3-(Octyloxy)propyl]-1,4,7-trioxa-10-azacyclododecane](/api/spectrum/6XhSl9AiGuA/structure.png?h=300&w=458 "10-[3-(Octyloxy)propyl]-1,4,7-trioxa-10-azacyclododecane")
| SpectraBase Compound ID | BeBfKkRvPOk |
|---|---|
| InChI | InChI=1S/C19H39NO4/c1-2-3-4-5-6-7-12-21-13-8-9-20-10-14-22-16-18-24-19-17-23-15-11-20/h2-19H2,1H3 |
| InChIKey | XPBCZTJCLJWJIX-UHFFFAOYSA-N |
| Mol Weight | 345.5 g/mol |
| Molecular Formula | C19H39NO4 |
| Exact Mass | 345.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XhSl9AiGuA |
|---|---|
| Name | 10-[3-(Octyloxy)propyl]-1,4,7-trioxa-10-azacyclododecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.287908736 u |
| Formula | C19H39NO4 |
| InChI | InChI=1S/C19H39NO4/c1-2-3-4-5-6-7-12-21-13-8-9-20-10-14-22-16-18-24-19-17-23-15-11-20/h2-19H2,1H3 |
| InChIKey | XPBCZTJCLJWJIX-UHFFFAOYSA-N |
| Molecular Weight | 345.524 g/mol |
| SMILES | C(N1CCOCCOCCOCC1)CCOCCCCCCCC |