![(5R,11R)-13-(4-Methoxyphenyl)-5,11-iminodibenzo[b,f][1,5]-5,6,11,12-tetrahydrodiazocine](/api/spectrum/29nVHluRfgs/structure.png?h=300&w=458 "(5R,11R)-13-(4-Methoxyphenyl)-5,11-iminodibenzo[b,f][1,5]-5,6,11,12-tetrahydrodiazocine")
| SpectraBase Compound ID | 4kLod5NuXnG |
|---|---|
| InChI | InChI=1S/C21H19N3O/c1-25-15-12-10-14(11-13-15)24-20-16-6-2-4-8-18(16)22-21(24)17-7-3-5-9-19(17)23-20/h2-13,20-23H,1H3/t20-,21-/m1/s1 |
| InChIKey | SQFPXGROQGVYGU-NHCUHLMSSA-N |
| Mol Weight | 329.4 g/mol |
| Molecular Formula | C21H19N3O |
| Exact Mass | 329.152812 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 29nVHluRfgs |
|---|---|
| Name | (5R,11R)-13-(4-Methoxyphenyl)-5,11-iminodibenzo[b,f][1,5]-5,6,11,12-tetrahydrodiazocine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H19N3O |
| InChI | InChI=1S/C21H19N3O/c1-25-15-12-10-14(11-13-15)24-20-16-6-2-4-8-18(16)22-21(24)17-7-3-5-9-19(17)23-20/h2-13,20-23H,1H3/t20-,21-/m1/s1 |
| InChIKey | SQFPXGROQGVYGU-NHCUHLMSSA-N |
| Molecular Weight | 329.403 g/mol |
| SMILES | N1c2c([C@]3(N([C@@]1(c1ccccc1N3)[H])c1ccc(cc1)OC)[H])cccc2 |
| SPLASH | splash10-0adi-0789000000-0f19cfed3e3d76be1afe |
| Source of Spectrum | F-54-1003-2 |
| Synonyms | (1R,9R)-17-(4-methoxyphenyl)-8,16,17-triazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene 13-(4-Methoxyphenyl)-5,11-iminodibenzo[b,f][1,5]-5,6,11,12-tetrahydrodiazocine Methyl 4-[(1R,9R)-8,16,17-triazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaen-17-yl]phenyl ether |
| Wiley ID | 805387 |