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PARA-DIBUTYL-PHENYL-(PHENYLSULFONYLACETONITRILE)
SpectraBase Compound ID BlHn45FJEsM
InChI InChI=1S/C30H32N2O4S2/c1-3-5-21-29(23-31,37(33,34)27-13-9-7-10-14-27)25-17-19-26(20-18-25)30(24-32,22-6-4-2)38(35,36)28-15-11-8-12-16-28/h7-20H,3-6,21-22H2,1-2H3
InChIKey GAVMSMWOYUOMCI-UHFFFAOYSA-N
Mol Weight 548.7 g/mol
Molecular Formula C30H32N2O4S2
Exact Mass 548.18035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81ue1z2iiaA
Name PARA-DIBUTYL-PHENYL-(PHENYLSULFONYLACETONITRILE)
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32N2O4S2
InChI InChI=1S/C30H32N2O4S2/c1-3-5-21-29(23-31,37(33,34)27-13-9-7-10-14-27)25-17-19-26(20-18-25)30(24-32,22-6-4-2)38(35,36)28-15-11-8-12-16-28/h7-20H,3-6,21-22H2,1-2H3
InChIKey GAVMSMWOYUOMCI-UHFFFAOYSA-N
Literature Reference Author A.S.ABD-EL-AZIZ,C.R.DEDENUS,H.M.HUTTON
Literature Reference Citation CAN.J.CHEM.,73,289(1995)
Literature Reference DOI 10.1139/v95-039
Molecular Weight 548.715 g/mol
Solvent CDCl3
Source File Reference UWCS15539