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TRANS,TRANS,CIS-2,6-DIMETHYL-2-(4-METHYLPENTENYL)-6-(PARA-CYANOPHENYL)-3-OXABICYCLO-[3.3.0]-OCTANE
SpectraBase Compound ID J7SE8BKQjN2
InChI InChI=1S/C22H29NO/c1-16(2)6-5-12-22(4)19-11-13-21(3,20(19)15-24-22)18-9-7-17(14-23)8-10-18/h6-10,19-20H,5,11-13,15H2,1-4H3/t19-,20+,21+,22+/m1/s1
InChIKey MRJFWOSWHVFTCP-MLNNCEHLSA-N
Mol Weight 323.48 g/mol
Molecular Formula C22H29NO
Exact Mass 323.224915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Smz7wbFOJ2
Name TRANS,TRANS,CIS-2,6-DIMETHYL-2-(4-METHYLPENTENYL)-6-(PARA-CYANOPHENYL)-3-OXABICYCLO-[3.3.0]-OCTANE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29NO
InChI InChI=1S/C22H29NO/c1-16(2)6-5-12-22(4)19-11-13-21(3,20(19)15-24-22)18-9-7-17(14-23)8-10-18/h6-10,19-20H,5,11-13,15H2,1-4H3/t19-,20+,21+,22+/m1/s1
InChIKey MRJFWOSWHVFTCP-MLNNCEHLSA-N
Literature Reference Author H.WENG,C.SCARLATA,H.D.ROTH
Literature Reference Citation J.AM.CHEM.SOC.,118,10947(1996)
Literature Reference DOI 10.1021/ja962206z
Molecular Weight 323.478 g/mol
Sample ID 53556
Solvent CDCl3