| SpectraBase Compound ID | 1lR4rtEEptq |
|---|---|
| InChI | InChI=1S/C44H40N2O2P2/c47-43-33(17-15-29-41(43)49(35-19-5-1-6-20-35)36-21-7-2-8-22-36)31-45-39-27-13-14-28-40(39)46-32-34-18-16-30-42(44(34)48)50(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-12,15-26,29-32,39-40,47-48H,13-14,27-28H2/b45-31+,46-32+ |
| InChIKey | XMMXRBGREXISKX-RQAFMBFTSA-N |
| Mol Weight | 690.8 g/mol |
| Molecular Formula | C44H40N2O2P2 |
| Exact Mass | 690.256503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7gyKe9TCTxn |
|---|---|
| Name | Cyc-salenophos |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H40N2O2P2 |
| InChI | InChI=1S/C44H40N2O2P2/c47-43-33(17-15-29-41(43)49(35-19-5-1-6-20-35)36-21-7-2-8-22-36)31-45-39-27-13-14-28-40(39)46-32-34-18-16-30-42(44(34)48)50(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-12,15-26,29-32,39-40,47-48H,13-14,27-28H2/b45-31+,46-32+ |
| InChIKey | XMMXRBGREXISKX-RQAFMBFTSA-N |
| Molecular Weight | 690.764 g/mol |
| SMILES | Oc1c(\C=N\C2C(\N=C\c3cccc(c3O)P(c3ccccc3)c3ccccc3)CCCC2)cccc1P(c1ccccc1)c1ccccc1 |
| SPLASH | splash10-0006-0105009000-faba4a175bf52b8e6fe1 |
| Source of Spectrum | QC-10-1808-2 |
| Wiley ID | 871346 |