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1-spiro[1,3-benzodioxole-2,9'-bicyclo[3.3.1]nonane]-1'-yl-3-[1,1,1-tri(phenyl)propan-2-yl]urea
SpectraBase Compound ID Il3vGv2ycCd
InChI InChI=1S/C37H38N2O3/c1-27(36(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30)38-34(40)39-35-25-13-21-31(22-14-26-35)37(35)41-32-23-11-12-24-33(32)42-37/h2-12,15-20,23-24,27,31H,13-14,21-22,25-26H2,1H3,(H2,38,39,40)/t27?,31-,35-
InChIKey KENWKQFDGWRTHO-VJQPWRGYSA-N
Mol Weight 558.7 g/mol
Molecular Formula C37H38N2O3
Exact Mass 558.288243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2j9d9qy69TU
Name 1-spiro[1,3-benzodioxole-2,9'-bicyclo[3.3.1]nonane]-1'-yl-3-[1,1,1-tri(phenyl)propan-2-yl]urea
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H38N2O3
InChI InChI=1S/C37H38N2O3/c1-27(36(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30)38-34(40)39-35-25-13-21-31(22-14-26-35)37(35)41-32-23-11-12-24-33(32)42-37/h2-12,15-20,23-24,27,31H,13-14,21-22,25-26H2,1H3,(H2,38,39,40)/t27?,31-,35-
InChIKey KENWKQFDGWRTHO-VJQPWRGYSA-N
Literature Reference Author M.C.SCHOPOHL,A.FAUST,D.MIRK,R.FROEHLICH,O.KATAEVA,S.R.WALDVO GEL
Literature Reference Citation EUR.J.ORG.CHEM.,2987(2005)
Molecular Weight 558.720 g/mol
Sample ID 29782
Solvent CDCl3