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3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL-(2,4-DINITROBENZOATE)

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3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL-(2,4-DINITROBENZOATE)
SpectraBase Compound ID HwlhY111x58
InChI InChI=1S/C26H28N2O7/c1-26-12-11-19-18-8-5-17(34-2)13-15(18)3-6-20(19)22(26)9-10-24(26)35-25(29)21-7-4-16(27(30)31)14-23(21)28(32)33/h4-5,7-8,13-14,19-20,22,24H,3,6,9-12H2,1-2H3/t19-,20-,22+,24-,26+/m1/s1
InChIKey UBJIRBWVCWHURU-NWWVFBKISA-N
Mol Weight 480.52 g/mol
Molecular Formula C26H28N2O7
Exact Mass 480.189651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MAKZfRt0ba
Name 3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL-(2,4-DINITROBENZOATE)
Compound Number 2D
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28N2O7
InChI InChI=1S/C26H28N2O7/c1-26-12-11-19-18-8-5-17(34-2)13-15(18)3-6-20(19)22(26)9-10-24(26)35-25(29)21-7-4-16(27(30)31)14-23(21)28(32)33/h4-5,7-8,13-14,19-20,22,24H,3,6,9-12H2,1-2H3/t19-,20-,22+,24-,26+/m1/s1
InChIKey UBJIRBWVCWHURU-NWWVFBKISA-N
Literature Reference Author P.TAPOLCSANYI,J.WOELFLING,E.MERNYAK,G.SCHNEIDER
Literature Reference Citation MH.CHEM.,135,1129(2004)
Molecular Weight 480.518 g/mol
Solvent CDCl3
Source File Reference UWMZ11962