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METHYL-(4-ALPHA,4A-ALPHA)-4-BROMO-3,4,4A,9-TETRAHYDRO-3-OXO-4-PHENYLINDENO-[2,1-C]-PYRAN-1-CARBOXYLATE
SpectraBase Compound ID 8x1ONWZNLss
InChI InChI=1S/C20H15BrO4/c1-24-18(22)17-15-11-12-7-5-6-10-14(12)16(15)20(21,19(23)25-17)13-8-3-2-4-9-13/h2-10,16H,11H2,1H3/t16-,20+/m1/s1
InChIKey YJUUKXUNSWECMZ-UZLBHIALSA-N
Mol Weight 399.24 g/mol
Molecular Formula C20H15BrO4
Exact Mass 398.015372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUK7A7rhbZR
Name METHYL-(4-ALPHA,4A-ALPHA)-4-BROMO-3,4,4A,9-TETRAHYDRO-3-OXO-4-PHENYLINDENO-[2,1-C]-PYRAN-1-CARBOXYLATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15BrO4
InChI InChI=1S/C20H15BrO4/c1-24-18(22)17-15-11-12-7-5-6-10-14(12)16(15)20(21,19(23)25-17)13-8-3-2-4-9-13/h2-10,16H,11H2,1H3/t16-,20+/m1/s1
InChIKey YJUUKXUNSWECMZ-UZLBHIALSA-N
Literature Reference Author T.T.TIDWELL,F.SAMMTLEBEN,M.CHRISTL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2031(1998)
Literature Reference DOI 10.1039/a802364f
Molecular Weight 399.241 g/mol
Solvent CDCl3
Source File Reference UWCP9161