1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/NIQVJDCFQXEZFB-UHFFFAOYSA-M/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
InChI | InChI=1S/C44H36N2O4P.BrH/c1-30-42(29-51(35-13-7-4-8-14-35,36-15-9-5-10-16-36)37-17-11-6-12-18-37)46-41-28-39(32-21-25-34(26-22-32)44(48)50-3)38(27-40(41)45-30)31-19-23-33(24-20-31)43(47)49-2;/h4-28H,29H2,1-3H3;1H/q+1;/p-1 |
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SMILES | COC(=O)c1ccc(cc1)c1cc2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(nc2cc1c1ccc(cc1)C(=O)OC)C.[Br-] |
InChI Key | NIQVJDCFQXEZFB-UHFFFAOYSA-M |
Molecular Formula | C44H36BrN2O4P |
Exact Mass | 767.645 g/mol |
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Additional Information
Field | Value |
---|---|
Data last updated | September 8, 2024 |
Metadata last updated | September 8, 2024 |
Created | September 8, 2024 |
Format | HTML |
License | No License Provided |
Id | db8b4529-2f45-438a-bbbc-9d31a022f2a8 |
Package id | 10-14272-niqvjdcfqxezfb-uhfffaoysa-m-chmo0000593 |
Resource type | HTML |
State | active |