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4-[(TRANS-2-ACETOXY-2,6,6-TRIMETHYLCYCLOHEXYL)-ETHYL]-4-IODO-1,8-NONADIEN-5-ONE,DIASTEREOMER-#1
SpectraBase Compound ID A4fT2Ur8EkU
InChI InChI=1S/C22H35IO3/c1-7-9-11-19(25)22(23,13-8-2)16-12-18-20(4,5)14-10-15-21(18,6)26-17(3)24/h7-8,18H,1-2,9-16H2,3-6H3/t18-,21-,22?/m1/s1
InChIKey YYWWZRJKGDTVHO-QOCBGMSTSA-N
Mol Weight 474.4 g/mol
Molecular Formula C22H35IO3
Exact Mass 474.16309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gn2j2jNx8pC
Name 4-[(TRANS-2-ACETOXY-2,6,6-TRIMETHYLCYCLOHEXYL)-ETHYL]-4-IODO-1,8-NONADIEN-5-ONE,DIASTEREOMER-#1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H35IO3
InChI InChI=1S/C22H35IO3/c1-7-9-11-19(25)22(23,13-8-2)16-12-18-20(4,5)14-10-15-21(18,6)26-17(3)24/h7-8,18H,1-2,9-16H2,3-6H3/t18-,21-,22?/m1/s1
InChIKey YYWWZRJKGDTVHO-QOCBGMSTSA-N
Literature Reference Author B.B.SNIDER,B.O.BUCKMAN
Literature Reference Citation J.ORG.CHEM.,57,4883(1992)
Literature Reference DOI 10.1021/jo00044a024
Molecular Weight 474.423 g/mol
Solvent CDCl3
Source File Reference UWCS1668