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[5-eta-C10H15(PME3)rh(SIPH3)(CH2CL2)]-[B(3,5-C6H3(CF3)2)4]
SpectraBase Compound ID FxDix5BBfxi
InChI InChI=1S/C32H12BF24.C18H15Si.C10H15.C3H9P.CH3Cl2.Rh/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-7(2)9(4)10(5)8(6)3;1-4(2)3;2-1-3;/h1-12H;1-15H;1-5H3;1-3H3;2H,1H2;/q-1;;;;+1;-1/p+1
InChIKey VTOQAILRBZZNKV-UHFFFAOYSA-O
Mol Weight 1522.8 g/mol
Molecular Formula C64H54BCl2F24PRhSi
Exact Mass 1521.187417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1oJPyaYRkaO
Name [5-eta-C10H15(PME3)rh(SIPH3)(CH2CL2)]-[B(3,5-C6H3(CF3)2)4]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1521.187416754 u
Formula C64H54BCl2F24PRhSi
InChI InChI=1S/C32H12BF24.C18H15Si.C10H15.C3H9P.CH3Cl2.Rh/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-7(2)9(4)10(5)8(6)3;1-4(2)3;2-1-3;/h1-12H;1-15H;1-5H3;1-3H3;2H,1H2;/q-1;;;;+1;-1/p+1
InChIKey VTOQAILRBZZNKV-UHFFFAOYSA-O
Molecular Weight 1522.778 g/mol
Nominal Mass 1521 u
SMILES C(Cl)Cl[Rh+]1234(C5(C4(=C3(C2(=C15C)C)C)C)C)([PH](C)(C)C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(F)(C=1C=C(C=C(C1)[B-](C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F