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1-OCTYL-DERIVATIVE
SpectraBase Compound ID 8Fkc76hZcGE
InChI InChI=1S/C37H52Cl2N2O7/c1-3-4-5-6-7-11-25-44-37-33(40-27(2)42)35(34-31(46-37)26-45-36(48-34)29-14-9-8-10-15-29)47-32(43)16-12-13-28-17-19-30(20-18-28)41(23-21-38)24-22-39/h8-10,14-15,17-20,31,33-37H,3-7,11-13,16,21-26H2,1-2H3,(H,40,42)/t31-,33-,34-,35-,36-,37-/m1/s1
InChIKey JHXZLQSTCWPFOL-WTHBACDCSA-N
Mol Weight 707.7 g/mol
Molecular Formula C37H52Cl2N2O7
Exact Mass 706.315157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7Rkc1yQPS5
Name 1-OCTYL-DERIVATIVE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H52Cl2N2O7
InChI InChI=1S/C37H52Cl2N2O7/c1-3-4-5-6-7-11-25-44-37-33(40-27(2)42)35(34-31(46-37)26-45-36(48-34)29-14-9-8-10-15-29)47-32(43)16-12-13-28-17-19-30(20-18-28)41(23-21-38)24-22-39/h8-10,14-15,17-20,31,33-37H,3-7,11-13,16,21-26H2,1-2H3,(H,40,42)/t31-,33-,34-,35-,36-,37-/m1/s1
InChIKey JHXZLQSTCWPFOL-WTHBACDCSA-N
Literature Reference Author F.IGLESIAS-GUERRA,J.I.CANDELA,J.BAUTISTA,F.ALCUDIA,J.M.VEGA- PEREZ
Literature Reference Citation CARBOHYDR.RES.,316,71(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00030-0
Molecular Weight 707.735 g/mol
Solvent CDCl3
Source File Reference UWMP15096