| SpectraBase Compound ID | DX9dTOqVCBy |
|---|---|
| InChI | InChI=1S/C31H32N3O3P/c1-2-23-22-34-20-18-24(23)21-30(34)31(28-17-19-32-29-16-10-9-15-27(28)29)33-38(35,36-25-11-5-3-6-12-25)37-26-13-7-4-8-14-26/h2-17,19,23-24,30-31H,1,18,20-22H2,(H,33,35)/t23?,24-,30?,31+/m1/s1 |
| InChIKey | MRNFSFTVCAYISC-OATVOEHLSA-N |
| Mol Weight | 525.6 g/mol |
| Molecular Formula | C31H32N3O3P |
| Exact Mass | 525.218129 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EsD11Vm0h0H |
|---|---|
| Name | (1S)-N-diphenoxyphosphoryl-1-(4-quinolyl)-1-(5-vinylquinuclidin-2-yl)methanamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H32N3O3P |
| InChI | InChI=1S/C31H32N3O3P/c1-2-23-22-34-20-18-24(23)21-30(34)31(28-17-19-32-29-16-10-9-15-27(28)29)33-38(35,36-25-11-5-3-6-12-25)37-26-13-7-4-8-14-26/h2-17,19,23-24,30-31H,1,18,20-22H2,(H,33,35)/t23?,24-,30?,31+/m1/s1 |
| InChIKey | MRNFSFTVCAYISC-OATVOEHLSA-N |
| Ionization Type | EI |
| Molecular Weight | 525.589 g/mol |
| Reported Formula | C31H32N3O3P |
| SMILES | N([C@@](c1ccnc2ccccc12)(C1N2CC[C@](C1)(C(C2)C=C)[H])[H])P(Oc1ccccc1)(Oc1ccccc1)=O |
| SPLASH | splash10-002r-1900000000-0bbc8dfd72b18ea69749 |
| Source of Spectrum | CN102309984A |
| Wiley ID | 1844650 |