| SpectraBase Compound ID | I4ptMu9aGpN |
|---|---|
| InChI | InChI=1S/C64H114B2P2/c1-57(2)27-15-31-61(9)45-23-19-41(53(45)57)49(61)37-67(65,38-50-42-20-24-46-54(42)58(3,4)28-16-32-62(46,50)10)35-13-14-36-68(66,39-51-43-21-25-47-55(43)59(5,6)29-17-33-63(47,51)11)40-52-44-22-26-48-56(44)60(7,8)30-18-34-64(48,52)12/h41-56H,13-40H2,1-12,65-66H3/t41-,42-,43-,44+,45-,46-,47-,48+,49-,50-,51-,52?,53+,54+,55+,56-,61+,62+,63+,64-,68?/m0/s1 |
| InChIKey | LUIVRNZFLXPNKL-LLVMBRJRSA-N |
| Mol Weight | 967.2 g/mol |
| Molecular Formula | C64H114B2P2 |
| Exact Mass | 966.858188 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3KPxfhIxL37 |
|---|---|
| Name | 1,4-Bis(dilongifolylphosphino)butane-diborane complex |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C64H114B2P2 |
| InChI | InChI=1S/C64H114B2P2/c1-57(2)27-15-31-61(9)45-23-19-41(53(45)57)49(61)37-67(65,38-50-42-20-24-46-54(42)58(3,4)28-16-32-62(46,50)10)35-13-14-36-68(66,39-51-43-21-25-47-55(43)59(5,6)29-17-33-63(47,51)11)40-52-44-22-26-48-56(44)60(7,8)30-18-34-64(48,52)12/h41-56H,13-40H2,1-12,65-66H3/t41-,42-,43-,44+,45-,46-,47-,48+,49-,50-,51-,52?,53+,54+,55+,56-,61+,62+,63+,64-,68?/m0/s1 |
| InChIKey | LUIVRNZFLXPNKL-LLVMBRJRSA-N |
| Molecular Weight | 967.184 g/mol |
| SMILES | [C@@]12([C@]3([C@@](C(C)(C)CCC2)([C@@](C1C[P+](C[C@@]1([C@]2([C@@]4([C@@]([C@]1(CC4)[H])(C(CCC2)(C)C)[H])[H])C)[H])([BH3-])CCCC[P+](C[C@@]1([C@]2([C@@]4([C@@]([C@]1(CC4)[H])(C(CCC2)(C)C)[H])[H])C)[H])(C[C@@]1([C@]2([C@@]4([C@@]([C@]1(CC4)[H])(C(CCC2)(C)C)[H])[H])C)[H])[BH3-])(CC3)[H])[H])[H])C |
| SPLASH | splash10-001i-0000320902-53dc667c641d2d193a21 |
| Source of Spectrum | QC-8-734-21 |
| Wiley ID | 869813 |