![5H,17H-Dibenzo[B,K][1,13,4,7,10]dioxatriazacyclooctadecine, 6,7,8,9,10,11,18,19,20,21-decahydro-](/api/spectrum/3M9GTg5Zv0O/structure.png?h=300&w=458 "5H,17H-Dibenzo[B,K][1,13,4,7,10]dioxatriazacyclooctadecine, 6,7,8,9,10,11,18,19,20,21-decahydro-")
| SpectraBase Compound ID | 3RhXD7gxdop |
|---|---|
| InChI | InChI=1S/C21H29N3O2/c1-6-16-25-20-10-4-2-8-18(20)23-14-12-22-13-15-24-19-9-3-5-11-21(19)26-17-7-1/h2-5,8-11,22-24H,1,6-7,12-17H2 |
| InChIKey | BPRKGUHLENTMLS-UHFFFAOYSA-N |
| Mol Weight | 355.48 g/mol |
| Molecular Formula | C21H29N3O2 |
| Exact Mass | 355.225977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3M9GTg5Zv0O |
|---|---|
| Name | 5H,17H-Dibenzo[B,K][1,13,4,7,10]dioxatriazacyclooctadecine, 6,7,8,9,10,11,18,19,20,21-decahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.225977184 u |
| Formula | C21H29N3O2 |
| InChI | InChI=1S/C21H29N3O2/c1-6-16-25-20-10-4-2-8-18(20)23-14-12-22-13-15-24-19-9-3-5-11-21(19)26-17-7-1/h2-5,8-11,22-24H,1,6-7,12-17H2 |
| InChIKey | BPRKGUHLENTMLS-UHFFFAOYSA-N |
| Molecular Weight | 355.482 g/mol |
| SMILES | C1CCOC2=C(NCCNCCNC3=CC=CC=C3OCC1)C=CC=C2 |