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3,6-BIS-[(S)-3,7-DIMETHYLOCTYL]-PHTHALONITRILE
SpectraBase Compound ID 6a7LdiPb1EX
InChI InChI=1S/C28H44N2/c1-21(2)9-7-11-23(5)13-15-25-17-18-26(28(20-30)27(25)19-29)16-14-24(6)12-8-10-22(3)4/h17-18,21-24H,7-16H2,1-6H3/t23-,24-/m0/s1
InChIKey VQXILNNGHWUREA-ZEQRLZLVSA-N
Mol Weight 408.7 g/mol
Molecular Formula C28H44N2
Exact Mass 408.350449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PireaE3XAl
Name 3,6-BIS-[(S)-3,7-DIMETHYLOCTYL]-PHTHALONITRILE
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44N2
InChI InChI=1S/C28H44N2/c1-21(2)9-7-11-23(5)13-15-25-17-18-26(28(20-30)27(25)19-29)16-14-24(6)12-8-10-22(3)4/h17-18,21-24H,7-16H2,1-6H3/t23-,24-/m0/s1
InChIKey VQXILNNGHWUREA-ZEQRLZLVSA-N
Literature Reference Author D.J.TATE,R.ANEMIAN,R.J.BUSHBY,S.NANAN,S.L.WARRINER,B.J.WHITA KER
Literature Reference Citation BEIL.J.ORG.CHEM.,8,120(2012)
Literature Reference DOI 10.3762/bjoc.8.14
Molecular Weight 408.671 g/mol
Solvent CDCl3
Source File Reference UWIR10119