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METHYL-(1-ALPHA,4-BETA,4A-ALPHA,9A-ALPHA)-1-BROMO-1,3,4,4A,9,9A-HEXAHYDRO-3-OXO-4-PHENYLINDENO-[2,1-C]-PYRAN-1-CARBOXYLATE
SpectraBase Compound ID DE9AMlN8j94
InChI InChI=1S/C20H17BrO4/c1-24-19(23)20(21)15-11-13-9-5-6-10-14(13)17(15)16(18(22)25-20)12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3/t15-,16+,17+,20+/m0/s1
InChIKey WGNJOIZFPPYDJD-TVKQPGBESA-N
Mol Weight 401.26 g/mol
Molecular Formula C20H17BrO4
Exact Mass 400.031022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71rqE8nfExT
Name METHYL-(1-ALPHA,4-BETA,4A-ALPHA,9A-ALPHA)-1-BROMO-1,3,4,4A,9,9A-HEXAHYDRO-3-OXO-4-PHENYLINDENO-[2,1-C]-PYRAN-1-CARBOXYLATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17BrO4
InChI InChI=1S/C20H17BrO4/c1-24-19(23)20(21)15-11-13-9-5-6-10-14(13)17(15)16(18(22)25-20)12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3/t15-,16+,17+,20+/m0/s1
InChIKey WGNJOIZFPPYDJD-TVKQPGBESA-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 401.257 g/mol
Solvent CDCl3
Source File Reference UWCP9160