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3,9-Dihexyl-9-boranyl-4,4-dicyano-1,11-dimethyl-3,9-diazatricyclo[6.4.0.2(2,5)]dodec-11-ene
SpectraBase Compound ID 2BRT0x0gG1j
InChI InChI=1S/C26H45BN4/c1-5-7-9-11-14-30-24-21(3)17-23(26(30,18-28)19-29)22-13-16-31(27,20-25(22,24)4)15-12-10-8-6-2/h17,22-24H,5-16,20H2,1-4,27H3/t22-,23+,24-,25-,31-/m0/s1
InChIKey HIDINZPULHWCSZ-YFZOLORZSA-N
Mol Weight 422.5 g/mol
Molecular Formula C26H43BN4
Exact Mass 422.358078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8diqOsg2lT
Name 3,9-Dihexyl-9-boranyl-4,4-dicyano-1,11-dimethyl-3,9-diazatricyclo[6.4.0.2(2,5)]dodec-11-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H45BN4
InChI InChI=1S/C26H45BN4/c1-5-7-9-11-14-30-24-21(3)17-23(26(30,18-28)19-29)22-13-16-31(27,20-25(22,24)4)15-12-10-8-6-2/h17,22-24H,5-16,20H2,1-4,27H3/t22-,23+,24-,25-,31-/m0/s1
InChIKey HIDINZPULHWCSZ-YFZOLORZSA-N
Molecular Weight 422.468 g/mol
SMILES [BH-][N@+]1(CC[C@@]2([C@@](C1)(C)[C@]1(N(C([C@@]2(C=C1C)[H])(C#N)C#N)CCCCCC)[H])[H])CCCCCC
SPLASH splash10-0v59-0962500000-527ea4dd7a8b92032dbd
Source of Spectrum J-66-4901-19
Wiley ID 1535577