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10;3-[3-(1-CYANO-1-METHYLETHYL)-3-METHYL-5-[(OCTYLTHIO)-METHYL]-4-OXOCYCLOHEXA-1,5-DIENYL]-2,2-DIMETHYL-3-[(OCTYLTHIO)-METHYL]-PROPANENITRILE

View entire compound with spectra: 1 NMR

10;3-[3-(1-CYANO-1-METHYLETHYL)-3-METHYL-5-[(OCTYLTHIO)-METHYL]-4-OXOCYCLOHEXA-1,5-DIENYL]-2,2-DIMETHYL-3-[(OCTYLTHIO)-METHYL]-PROPANENITRILE
SpectraBase Compound ID CqGyd3bayPw
InChI InChI=1S/C66H106N4O2S4/c1-15-19-23-27-31-35-39-73-47-53-43-55(45-63(13,57(53)71)59(5,6)49-67)65(61(9,10)51-69,75-41-37-33-29-25-21-17-3)66(62(11,12)52-70,76-42-38-34-30-26-22-18-4)56-44-54(48-74-40-36-32-28-24-20-16-2)58(72)64(14,46-56)60(7,8)50-68/h43-46H,15-42,47-48H2,1-14H3
InChIKey LJHZAGMGFXXROW-UHFFFAOYSA-N
Mol Weight 1115.8 g/mol
Molecular Formula C66H106N4O2S4
Exact Mass 1114.719863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ym4xPOvFAh
Name 10;3-[3-(1-CYANO-1-METHYLETHYL)-3-METHYL-5-[(OCTYLTHIO)-METHYL]-4-OXOCYCLOHEXA-1,5-DIENYL]-2,2-DIMETHYL-3-[(OCTYLTHIO)-METHYL]-PROPANENITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H106N4O2S4
InChI InChI=1S/C66H106N4O2S4/c1-15-19-23-27-31-35-39-73-47-53-43-55(45-63(13,57(53)71)59(5,6)49-67)65(61(9,10)51-69,75-41-37-33-29-25-21-17-3)66(62(11,12)52-70,76-42-38-34-30-26-22-18-4)56-44-54(48-74-40-36-32-28-24-20-16-2)58(72)64(14,46-56)60(7,8)50-68/h43-46H,15-42,47-48H2,1-14H3
InChIKey LJHZAGMGFXXROW-UHFFFAOYSA-N
Literature Reference Author H.MEIER,H.KUENZI,H.FUHRER,G.RIST
Literature Reference Citation HELV.CHIM.ACTA,77,655(1994)
Literature Reference DOI 10.1002/hlca.19940770308
Molecular Weight 1115.833 g/mol
Solvent CDCl3
Source File Reference UWVP4444