![16H,20H-Dibenzo[H,Q][1,4,7,13,10,16]tetraoxadiazacyclooctadecine, 6,7,9,10,17,18,21,22-octahydro-](/api/spectrum/4xPA2T9SHDK/structure.png?h=300&w=458 "16H,20H-Dibenzo[H,Q][1,4,7,13,10,16]tetraoxadiazacyclooctadecine, 6,7,9,10,17,18,21,22-octahydro-")
| SpectraBase Compound ID | EhYS895rjS6 |
|---|---|
| InChI | InChI=1S/C20H26N2O4/c1-3-7-19-17(5-1)21-9-11-23-12-10-22-18-6-2-4-8-20(18)26-16-14-24-13-15-25-19/h1-8,21-22H,9-16H2 |
| InChIKey | PBKMZQWDHPVLKE-UHFFFAOYSA-N |
| Mol Weight | 358.44 g/mol |
| Molecular Formula | C20H26N2O4 |
| Exact Mass | 358.189257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xPA2T9SHDK |
|---|---|
| Name | 16H,20H-Dibenzo[H,Q][1,4,7,13,10,16]tetraoxadiazacyclooctadecine, 6,7,9,10,17,18,21,22-octahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.189257321 u |
| Formula | C20H26N2O4 |
| InChI | InChI=1S/C20H26N2O4/c1-3-7-19-17(5-1)21-9-11-23-12-10-22-18-6-2-4-8-20(18)26-16-14-24-13-15-25-19/h1-8,21-22H,9-16H2 |
| InChIKey | PBKMZQWDHPVLKE-UHFFFAOYSA-N |
| Molecular Weight | 358.438 g/mol |
| SMILES | C1COC2=CC=CC=C2NCCOCCNC2=CC=CC=C2OCCO1 |