![6-oxo-N-[(S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine](/api/spectrum/5aHaOn07XSe/structure.png?h=300&w=458 "6-oxo-N-[(S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine")
| SpectraBase Compound ID | 6njciWeqOUP |
|---|---|
| InChI | InChI=1S/C31H30N3O3P/c1-2-21-20-34-18-16-22(21)19-28(34)31(26-15-17-32-27-12-6-3-9-23(26)27)33-38(35)36-29-13-7-4-10-24(29)25-11-5-8-14-30(25)37-38/h2-15,17,21-22,28,31H,1,16,18-20H2,(H,33,35)/t21?,22-,28?,31+/m1/s1 |
| InChIKey | FZGVBIYPTFRPJX-DXJNKBPASA-N |
| Mol Weight | 523.57 g/mol |
| Molecular Formula | C31H30N3O3P |
| Exact Mass | 523.202479 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5aHaOn07XSe |
|---|---|
| Name | 6-oxo-N-[(S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H30N3O3P |
| InChI | InChI=1S/C31H30N3O3P/c1-2-21-20-34-18-16-22(21)19-28(34)31(26-15-17-32-27-12-6-3-9-23(26)27)33-38(35)36-29-13-7-4-10-24(29)25-11-5-8-14-30(25)37-38/h2-15,17,21-22,28,31H,1,16,18-20H2,(H,33,35)/t21?,22-,28?,31+/m1/s1 |
| InChIKey | FZGVBIYPTFRPJX-DXJNKBPASA-N |
| Ionization Type | EI |
| Molecular Weight | 523.573 g/mol |
| Reported Formula | C31H30N3O3P |
| SMILES | N([C@@](c1ccnc2ccccc12)(C1N2CC[C@](C1)(C(C2)C=C)[H])[H])P1(Oc2ccccc2-c2ccccc2O1)=O |
| SPLASH | splash10-000i-1920000000-1254c45bd41cab7e5753 |
| Source of Spectrum | CN102309984A |
| Wiley ID | 1844648 |