![6,7,9,10,12,13,20,21-Octahydro-5,8,11,14,19,22-hexaoxa-dibenzo[A,G]cyclooctade- cene-2,16-diamine](/api/spectrum/IVmzPd0FzYQ/structure.png?h=300&w=458 "6,7,9,10,12,13,20,21-Octahydro-5,8,11,14,19,22-hexaoxa-dibenzo[A,G]cyclooctade- cene-2,16-diamine")
| SpectraBase Compound ID | 8hPPM34uqW7 |
|---|---|
| InChI | InChI=1S/C20H26N2O6/c21-15-2-4-18-19(13-15)27-10-8-24-6-5-23-7-9-25-17-3-1-16(22)14-20(17)28-12-11-26-18/h1-4,13-14H,5-12,21-22H2 |
| InChIKey | STWROKRSXDZIEP-UHFFFAOYSA-N |
| Mol Weight | 390.44 g/mol |
| Molecular Formula | C20H26N2O6 |
| Exact Mass | 390.179087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVmzPd0FzYQ |
|---|---|
| Name | 6,7,9,10,12,13,20,21-Octahydro-5,8,11,14,19,22-hexaoxa-dibenzo[A,G]cyclooctade- cene-2,16-diamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.179086559 u |
| Formula | C20H26N2O6 |
| InChI | InChI=1S/C20H26N2O6/c21-15-2-4-18-19(13-15)27-10-8-24-6-5-23-7-9-25-17-3-1-16(22)14-20(17)28-12-11-26-18/h1-4,13-14H,5-12,21-22H2 |
| InChIKey | STWROKRSXDZIEP-UHFFFAOYSA-N |
| Molecular Weight | 390.436 g/mol |
| SMILES | C1OC2=CC=C(C=C2OCCOC2=C(OCCOCCOC1)C=C(N)C=C2)N |