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16-BETA-BROMO-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ON
SpectraBase Compound ID HnDj24s14Fd
InChI InChI=1S/C19H23BrO2/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-17H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17+,19+/m1/s1
InChIKey CSELWEPNDJXTQB-GJGATLCTSA-N
Mol Weight 363.3 g/mol
Molecular Formula C19H23BrO2
Exact Mass 362.088143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JW4DzxVAu8
Name 16-BETA-BROMO-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ON
Compound Number 389
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H23BrO2
InChI InChI=1S/C19H23BrO2/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-17H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17+,19+/m1/s1
InChIKey CSELWEPNDJXTQB-GJGATLCTSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 363.294 g/mol
Solvent CDCl3
Source File Reference UNIW4069