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PIDOAAWVOPNQAA-IVIJJQOWSA-N
SpectraBase Compound ID Ht5lgYtRcxE
InChI InChI=1S/C23H22Cl3NO9/c1-5-10(2)18(29)35-15-8-22(4)16(28)7-13(36-22)12(6-14-17(15)11(3)19(30)34-14)9-33-21(32)27-20(31)23(24,25)26/h5-7,14-15,17H,3,8-9H2,1-2,4H3,(H,27,31,32)/b10-5-,12-6-/t14-,15-,17?,22-/m1/s1
InChIKey PIDOAAWVOPNQAA-IVIJJQOWSA-N
Mol Weight 562.79 g/mol
Molecular Formula C23H22Cl3NO9
Exact Mass 561.036014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJoslh5MVpe
Name PIDOAAWVOPNQAA-IVIJJQOWSA-N
CAS Registry Number 95652-99-6
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22Cl3NO9
InChI InChI=1S/C23H22Cl3NO9/c1-5-10(2)18(29)35-15-8-22(4)16(28)7-13(36-22)12(6-14-17(15)11(3)19(30)34-14)9-33-21(32)27-20(31)23(24,25)26/h5-7,14-15,17H,3,8-9H2,1-2,4H3,(H,27,31,32)/b10-5-,12-6-/t14-,15-,17?,22-/m1/s1
InChIKey PIDOAAWVOPNQAA-IVIJJQOWSA-N
Literature Reference Author G.DELGADO,H.CARDENAS,G.PELAEZ,A.R.DEVIVAR,R.PEREDA-MIRANDA
Literature Reference Citation J.NAT.PROD.,47,1042(1984)
Literature Reference DOI 10.1021/np50036a028
Molecular Weight 562.788 g/mol
Solvent CDCl3
Source File Reference UWCS3288