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ZQRIHYBODOXTDE-ZBHFHKPLSA-O

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ZQRIHYBODOXTDE-ZBHFHKPLSA-O
SpectraBase Compound ID Ba2h5rIWKyW
InChI InChI=1S/C30H24Cl2FN5O7/c1-42-29(41)23-20(33)22(44-27(39)15-9-4-2-5-10-15)24(45-28(40)16-11-6-3-7-12-16)26(43-23)38-30(35)36-25(34)21(37-38)17-13-8-14-18(31)19(17)32/h2-14,20,22-24,26H,1H3,(H3,34,35,36)/p+1/t20-,22-,23-,24+,26?/m1/s1
InChIKey ZQRIHYBODOXTDE-ZBHFHKPLSA-O
Mol Weight 657.46 g/mol
Molecular Formula C30H25Cl2FN5O7
Exact Mass 656.111507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uiVGn4JB5K
Name ZQRIHYBODOXTDE-ZBHFHKPLSA-O
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H25Cl2FN5O7
InChI InChI=1S/C30H24Cl2FN5O7/c1-42-29(41)23-20(33)22(44-27(39)15-9-4-2-5-10-15)24(45-28(40)16-11-6-3-7-12-16)26(43-23)38-30(35)36-25(34)21(37-38)17-13-8-14-18(31)19(17)32/h2-14,20,22-24,26H,1H3,(H3,34,35,36)/p+1/t20-,22-,23-,24+,26?/m1/s1
InChIKey ZQRIHYBODOXTDE-ZBHFHKPLSA-O
Literature Reference Author A.M.ESMURZIEV,A.REIMERS,T.ANDREASSEN,N.SIMIC,E.SUNDBY,B.H.HO FF
Literature Reference Citation MOLECULES,17,820(2012)
Literature Reference DOI 10.3390/molecules17010820
Molecular Weight 657.462 g/mol
Sample ID 73019
Solvent DMSO-D6