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SYNTHETIC

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SYNTHETIC
SpectraBase Compound ID K0amIQmiU9E
InChI InChI=1S/C27H21ClO8/c1-34-21-11-18-17(19(12-29)25(21)28)5-6-20(31)24(18)26(33)35-16-9-14-3-2-4-23-27(36-23,22(32)13-30)8-7-15(14)10-16/h3,5-6,10-11,16,22-23,29-32H,9,12-13H2,1H3/t16-,22+,23+,27+/m0/s1
InChIKey CQTJGCQVQDQRDL-FHINYYAKSA-N
Mol Weight 508.91 g/mol
Molecular Formula C27H21ClO8
Exact Mass 508.092495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jmhYZ7rkoN
Name SYNTHETIC
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H21ClO8
InChI InChI=1S/C27H21ClO8/c1-34-21-11-18-17(19(12-29)25(21)28)5-6-20(31)24(18)26(33)35-16-9-14-3-2-4-23-27(36-23,22(32)13-30)8-7-15(14)10-16/h3,5-6,10-11,16,22-23,29-32H,9,12-13H2,1H3/t16-,22+,23+,27+/m0/s1
InChIKey CQTJGCQVQDQRDL-FHINYYAKSA-N
Literature Reference Author S.KOBAYASHI,R.S.REDDY,Y.SUGIURA,D.SASAKI,N.MIYAGAWA,M.HIRAMA
Literature Reference Citation J.AM.CHEM.SOC.,123,2887(2001)
Literature Reference DOI 10.1021/ja003982g
Molecular Weight 508.912 g/mol
Solvent DMSO-D6:CD3CN=1:1
Source File Reference UWVN29908