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N,N'-bis(2',6'-Diisopropylphenyl)-1,6-bis(triisopropylsilyl)hexa-1,5-diyne-3,4-diimine

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N,N'-bis(2',6'-Diisopropylphenyl)-1,6-bis(triisopropylsilyl)hexa-1,5-diyne-3,4-diimine
SpectraBase Compound ID 2oSIOqSLtpH
InChI InChI=1S/C48H76N2Si2/c1-31(2)41-23-21-24-42(32(3)4)47(41)49-45(27-29-51(35(9)10,36(11)12)37(13)14)46(28-30-52(38(15)16,39(17)18)40(19)20)50-48-43(33(5)6)25-22-26-44(48)34(7)8/h21-26,31-40H,1-20H3/b49-45+,50-46+
InChIKey NIMMFJQLEJJZLN-XMWVESSBSA-N
Mol Weight 737.3 g/mol
Molecular Formula C48H76N2Si2
Exact Mass 736.554704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1B7xAjRZ9t
Name N,N'-bis(2',6'-Diisopropylphenyl)-1,6-bis(triisopropylsilyl)hexa-1,5-diyne-3,4-diimine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 736.554703525 u
Formula C48H76N2Si2
InChI InChI=1S/C48H76N2Si2/c1-31(2)41-23-21-24-42(32(3)4)47(41)49-45(27-29-51(35(9)10,36(11)12)37(13)14)46(28-30-52(38(15)16,39(17)18)40(19)20)50-48-43(33(5)6)25-22-26-44(48)34(7)8/h21-26,31-40H,1-20H3/b49-45+,50-46+
InChIKey NIMMFJQLEJJZLN-XMWVESSBSA-N
Molecular Weight 737.320 g/mol
SMILES C1(\N=C/(C#C[Si](C(C)C)(C(C)C)C(C)C)\C(=N\C=2C(C(C)C)=CC=CC2C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C(C)C)C=CC=C1C(C)C