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4,4-DIMETHYL-VITAMIN-D3-PARA-NITROBENZOATE-ESTER

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4,4-DIMETHYL-VITAMIN-D3-PARA-NITROBENZOATE-ESTER
SpectraBase Compound ID 2nCpRDZ9iBO
InChI InChI=1S/C36H51NO4/c1-24(2)10-8-11-25(3)31-20-21-32-27(12-9-23-36(31,32)7)16-19-30-26(4)13-22-33(35(30,5)6)41-34(38)28-14-17-29(18-15-28)37(39)40/h14-19,24-25,31-33H,4,8-13,20-23H2,1-3,5-7H3/b27-16+,30-19+/t25-,31-,32?,33+,36-/m1/s1
InChIKey WPACDSMSVLRNKH-LIRYDCLASA-N
Mol Weight 561.8 g/mol
Molecular Formula C36H51NO4
Exact Mass 561.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ADIYRAmT0W
Name 4,4-DIMETHYL-VITAMIN-D3-PARA-NITROBENZOATE-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H51NO4
InChI InChI=1S/C36H51NO4/c1-24(2)10-8-11-25(3)31-20-21-32-27(12-9-23-36(31,32)7)16-19-30-26(4)13-22-33(35(30,5)6)41-34(38)28-14-17-29(18-15-28)37(39)40/h14-19,24-25,31-33H,4,8-13,20-23H2,1-3,5-7H3/b27-16+,30-19+/t25-,31-,32?,33+,36-/m1/s1
InChIKey WPACDSMSVLRNKH-LIRYDCLASA-N
Literature Reference Author E.BERMAN,N.FRIEDMAN,Y.MAZUR,M.SHEVES
Literature Reference Citation J.AM.CHEM.SOC.,100,5626(1978)
Literature Reference DOI 10.1021/ja00486a008
Molecular Weight 561.805 g/mol
Solvent CDCl3
Source File Reference UWWR5080