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3-METHOXYESTRA-1,3,5(10)-TRIEN-17-BETA-YL-(4-NITROBENZOATE)

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3-METHOXYESTRA-1,3,5(10)-TRIEN-17-BETA-YL-(4-NITROBENZOATE)
SpectraBase Compound ID 5mIAbkm3BQd
InChI InChI=1S/C26H29NO5/c1-26-14-13-21-20-10-8-19(31-2)15-17(20)5-9-22(21)23(26)11-12-24(26)32-25(28)16-3-6-18(7-4-16)27(29)30/h3-4,6-8,10,15,21-24H,5,9,11-14H2,1-2H3/t21-,22-,23+,24+,26+/m1/s1
InChIKey YEDILUIDDFYCSX-XRKIENNPSA-N
Mol Weight 435.52 g/mol
Molecular Formula C26H29NO5
Exact Mass 435.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7rPidheSxT
Name 3-METHOXYESTRA-1,3,5(10)-TRIEN-17-BETA-YL-(4-NITROBENZOATE)
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H29NO5
InChI InChI=1S/C26H29NO5/c1-26-14-13-21-20-10-8-19(31-2)15-17(20)5-9-22(21)23(26)11-12-24(26)32-25(28)16-3-6-18(7-4-16)27(29)30/h3-4,6-8,10,15,21-24H,5,9,11-14H2,1-2H3/t21-,22-,23+,24+,26+/m1/s1
InChIKey YEDILUIDDFYCSX-XRKIENNPSA-N
Literature Reference Author P.TAPOLCSANYI,J.WOELFLING,E.MERNYAK,G.SCHNEIDER
Literature Reference Citation MH.CHEM.,135,1129(2004)
Molecular Weight 435.520 g/mol
Solvent CDCl3
Source File Reference UWMZ11964