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10-Bromo-thromoboxane A2 methyl ester

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10-Bromo-thromoboxane A2 methyl ester
SpectraBase Compound ID 2r5cFQB1t2O
InChI InChI=1S/C21H33BrO5/c1-3-4-7-10-15(23)13-14-17-16(20-19(22)21(26-17)27-20)11-8-5-6-9-12-18(24)25-2/h5,8,13-17,19-21,23H,3-4,6-7,9-12H2,1-2H3/b8-5-,14-13+
InChIKey HCYWQFVPUUJCBG-FCBYNYORSA-N
Mol Weight 445.4 g/mol
Molecular Formula C21H33BrO5
Exact Mass 444.151137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Cc5OtczH1v
Name 10-Bromo-thromoboxane A2 methyl ester
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Formula C21H33BrO5
InChI InChI=1S/C21H33BrO5/c1-3-4-7-10-15(23)13-14-17-16(20-19(22)21(26-17)27-20)11-8-5-6-9-12-18(24)25-2/h5,8,13-17,19-21,23H,3-4,6-7,9-12H2,1-2H3/b8-5-,14-13+
InChIKey HCYWQFVPUUJCBG-FCBYNYORSA-N
Literature Reference S.S. Bhagwat, P.R. Hamann, W.C.Still, J. Am. Chem. Soc. 107, 6372 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6