| SpectraBase Compound ID | 4pVXSxkpO7Y |
|---|---|
| InChI | InChI=1S/C18H27NO9/c20-19(21)16-1-2-17-18(15-16)28-14-12-26-10-8-24-6-4-22-3-5-23-7-9-25-11-13-27-17/h1-2,15H,3-14H2 |
| InChIKey | YHELSHISKYMUTG-UHFFFAOYSA-N |
| Mol Weight | 401.41 g/mol |
| Molecular Formula | C18H27NO9 |
| Exact Mass | 401.168581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1EX3gPv5qja |
|---|---|
| Name | 21-Nitrobenzo-21-crown-7 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.168581444 u |
| Formula | C18H27NO9 |
| InChI | InChI=1S/C18H27NO9/c20-19(21)16-1-2-17-18(15-16)28-14-12-26-10-8-24-6-4-22-3-5-23-7-9-25-11-13-27-17/h1-2,15H,3-14H2 |
| InChIKey | YHELSHISKYMUTG-UHFFFAOYSA-N |
| Molecular Weight | 401.412 g/mol |
| SMILES | C1(N(=O)=O)=CC2=C(C=C1)OCCOCCOCCOCCOCCOCCO2 |