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METHYL_3',5'-DICHLORO-4,4'-DI-O-METHYLATROMENTATE
SpectraBase Compound ID 3ETifZCEXHY
InChI InChI=1S/C21H16Cl2O7/c1-27-12-6-4-10(5-7-12)15-17(24)19(30-21(15)26)16(20(25)29-3)11-8-13(22)18(28-2)14(23)9-11/h4-9,24H,1-3H3/b19-16+
InChIKey QDZNBMMQDUVSEQ-KNTRCKAVSA-N
Mol Weight 451.26 g/mol
Molecular Formula C21H16Cl2O7
Exact Mass 450.027308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLcCLegqI6S
Name METHYL_3',5'-DICHLORO-4,4'-DI-O-METHYLATROMENTATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16Cl2O7
InChI InChI=1S/C21H16Cl2O7/c1-27-12-6-4-10(5-7-12)15-17(24)19(30-21(15)26)16(20(25)29-3)11-8-13(22)18(28-2)14(23)9-11/h4-9,24H,1-3H3/b19-16+
InChIKey QDZNBMMQDUVSEQ-KNTRCKAVSA-N
Literature Reference Author S.A.VANDERSAR,J.W.BLUNT,A.L.J.COLE,L.B.DIN,M.H.G.MUNRO
Literature Reference Citation J.NAT.PROD.,68,1799(2005)
Literature Reference DOI 10.1021/np0503395
Molecular Weight 451.260 g/mol
Solvent CDCl3
Source File Reference UWMZ12348