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OVEAGBCIJXRMBU-VXKWHMMOSA-N

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OVEAGBCIJXRMBU-VXKWHMMOSA-N
SpectraBase Compound ID GiiPH9emFoM
InChI InChI=1S/C29H26Cl2N4O7S/c30-17-7-5-15(6-8-17)19-11-16-12-25(42-28(16)35-26(19)18-3-1-2-4-20(18)31)43-14-22(27(39)33-13-24(37)38)34-23(36)10-9-21(32)29(40)41/h1-8,11-12,21-22H,9-10,13-14,32H2,(H,33,39)(H,34,36)(H,37,38)(H,40,41)/t21-,22-/m0/s1
InChIKey OVEAGBCIJXRMBU-VXKWHMMOSA-N
Mol Weight 645.51 g/mol
Molecular Formula C29H26Cl2N4O7S
Exact Mass 644.089926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0aB44wmb3G
Name OVEAGBCIJXRMBU-VXKWHMMOSA-N
Compound Number M-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26Cl2N4O7S
InChI InChI=1S/C29H26Cl2N4O7S/c30-17-7-5-15(6-8-17)19-11-16-12-25(42-28(16)35-26(19)18-3-1-2-4-20(18)31)43-14-22(27(39)33-13-24(37)38)34-23(36)10-9-21(32)29(40)41/h1-8,11-12,21-22H,9-10,13-14,32H2,(H,33,39)(H,34,36)(H,37,38)(H,40,41)/t21-,22-/m0/s1
InChIKey OVEAGBCIJXRMBU-VXKWHMMOSA-N
Literature Reference Author T.J.BATEMAN,J.S.DEBENHAM,C.MADSEN-DUGGAN,R.B.TOUPENCE,T.F.WA LSH,Q.TRUONG,S.A.BRA
Literature Reference Citation DRUG.MET.DISP.,38,108(2010)
Literature Reference DOI 10.1124/dmd.109.029801
Molecular Weight 645.514 g/mol
Source File Reference UWLU74073