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16a-Bromo-3-methoxy-1,3,5(10)-estratriene

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16a-Bromo-3-methoxy-1,3,5(10)-estratriene
SpectraBase Compound ID 1ov3avaoDUQ
InChI InChI=1S/C19H25BrO/c1-19-8-7-16-15-6-4-14(21-2)9-12(15)3-5-17(16)18(19)10-13(20)11-19/h4,6,9,13,16-18H,3,5,7-8,10-11H2,1-2H3
InChIKey OSXFDCPPZLVSHC-UHFFFAOYSA-N
Mol Weight 349.31 g/mol
Molecular Formula C19H25BrO
Exact Mass 348.108878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rG1b9YtphC
Name 16b-Bromo-3-methoxy-1,3,5(10)-estratriene
CAS Registry Number 74055-47-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H25BrO
InChI InChI=1S/C19H25BrO/c1-19-8-7-16-15-6-4-14(21-2)9-12(15)3-5-17(16)18(19)10-13(20)11-19/h4,6,9,13,16-18H,3,5,7-8,10-11H2,1-2H3
InChIKey OSXFDCPPZLVSHC-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference G. Engelhardt, D. Zeigan, B. Schoenecker, Org. Magn. Resonance 12, 628 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3