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(+/-)-PESTALACHLORIDE-D
SpectraBase Compound ID 5W1tRFz1wLx
InChI InChI=1S/C21H20Cl2O5/c1-8-17(22)19(27-4)16-15-11(21(2,3)28-20(16)18(8)23)5-9-12(25)6-13(26)10(7-24)14(9)15/h6-7,11,15,25-26H,5H2,1-4H3/t11-,15-/m1/s1
InChIKey ANCGXXHYXGKUAF-IAQYHMDHSA-N
Mol Weight 423.29 g/mol
Molecular Formula C21H20Cl2O5
Exact Mass 422.068779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZQUbdKsVLm
Name (+/-)-PESTALACHLORIDE-D
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20Cl2O5
InChI InChI=1S/C21H20Cl2O5/c1-8-17(22)19(27-4)16-15-11(21(2,3)28-20(16)18(8)23)5-9-12(25)6-13(26)10(7-24)14(9)15/h6-7,11,15,25-26H,5H2,1-4H3/t11-,15-/m1/s1
InChIKey ANCGXXHYXGKUAF-IAQYHMDHSA-N
Literature Reference Author M.Y.WEI,D.LI,C.L.SHAO,D.S.DENG,C.Y.WANG
Literature Reference Citation MAR.DRUGS,11,1050(2013)
Literature Reference DOI 10.3390/md11041050
Molecular Weight 423.293 g/mol
Source File Reference UWLU74806