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3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL-(3,5-DINITROBENZOATE)
SpectraBase Compound ID g5Qd6iFIQ8
InChI InChI=1S/C26H28N2O7/c1-26-10-9-21-20-6-4-19(34-2)13-15(20)3-5-22(21)23(26)7-8-24(26)35-25(29)16-11-17(27(30)31)14-18(12-16)28(32)33/h4,6,11-14,21-24H,3,5,7-10H2,1-2H3/t21-,22-,23+,24-,26+/m1/s1
InChIKey ZHMBDKWUEGGYPW-XCVFGXLCSA-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 2EWEUhf60g6
Name 3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL-(3,5-DINITROBENZOATE)
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28N2O7
InChI InChI=1S/C26H28N2O7/c1-26-10-9-21-20-6-4-19(34-2)13-15(20)3-5-22(21)23(26)7-8-24(26)35-25(29)16-11-17(27(30)31)14-18(12-16)28(32)33/h4,6,11-14,21-24H,3,5,7-10H2,1-2H3/t21-,22-,23+,24-,26+/m1/s1
InChIKey ZHMBDKWUEGGYPW-XCVFGXLCSA-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 UWMZ11961