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5-(PHENYLUREIDO)-1,2,3-((S)-3,7-DIMETHYLOCTYLOXY)-BENZENE

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5-(PHENYLUREIDO)-1,2,3-((S)-3,7-DIMETHYLOCTYLOXY)-BENZENE
SpectraBase Compound ID HYZb5kUFIXU
InChI InChI=1S/C43H72N2O4/c1-32(2)16-13-19-35(7)24-27-47-40-30-39(45-43(46)44-38-22-11-10-12-23-38)31-41(48-28-25-36(8)20-14-17-33(3)4)42(40)49-29-26-37(9)21-15-18-34(5)6/h10-12,22-23,30-37H,13-21,24-29H2,1-9H3,(H2,44,45,46)/t35-,36+,37-/m1/s1
InChIKey XKPMBCWYCUEEPS-HPJTWKJOSA-N
Mol Weight 681.1 g/mol
Molecular Formula C43H72N2O4
Exact Mass 680.549209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2Ree4Ntmbg
Name 5-(PHENYLUREIDO)-1,2,3-((S)-3,7-DIMETHYLOCTYLOXY)-BENZENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H72N2O4
InChI InChI=1S/C43H72N2O4/c1-32(2)16-13-19-35(7)24-27-47-40-30-39(45-43(46)44-38-22-11-10-12-23-38)31-41(48-28-25-36(8)20-14-17-33(3)4)42(40)49-29-26-37(9)21-15-18-34(5)6/h10-12,22-23,30-37H,13-21,24-29H2,1-9H3,(H2,44,45,46)/t35-,36+,37-/m1/s1
InChIKey XKPMBCWYCUEEPS-HPJTWKJOSA-N
Literature Reference Author J.J.V.GORP,J.A.J.M.VEKEMANS,E.W.MEIJER
Literature Reference Citation J.AM.CHEM.SOC.,124,14759(2002)
Literature Reference DOI 10.1021/ja020984n
Molecular Weight 681.056 g/mol
Sample ID 47182
Solvent CDCl3