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DYJZCRQLUOQQKG-KKOPSJIASA-N
SpectraBase Compound ID FlVLSfMlAeR
InChI InChI=1S/C60H49FN4O3/c61-46-28-25-43(26-29-46)59(66)68-38-60(67)36-14-13-23-45(60)27-24-44-37-53-56(41-19-9-3-10-20-41)51-33-32-49(63-51)54(39-15-5-1-6-16-39)47-30-31-48(62-47)55(40-17-7-2-8-18-40)50-34-35-52(64-50)57(58(44)65-53)42-21-11-4-12-22-42/h1-12,15-22,25-26,28-35,37,45,62,64,67H,13-14,23-24,27,36,38H2/b54-47-,54-49-,55-48-,55-50-,56-51-,56-53-,57-52-,58-57-/t45-,60-/m1/s1
InChIKey DYJZCRQLUOQQKG-KKOPSJIASA-N
Mol Weight 893.1 g/mol
Molecular Formula C60H49FN4O3
Exact Mass 892.37887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPLjLK0TDVT
Name DYJZCRQLUOQQKG-KKOPSJIASA-N
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H49FN4O3
InChI InChI=1S/C60H49FN4O3/c61-46-28-25-43(26-29-46)59(66)68-38-60(67)36-14-13-23-45(60)27-24-44-37-53-56(41-19-9-3-10-20-41)51-33-32-49(63-51)54(39-15-5-1-6-16-39)47-30-31-48(62-47)55(40-17-7-2-8-18-40)50-34-35-52(64-50)57(58(44)65-53)42-21-11-4-12-22-42/h1-12,15-22,25-26,28-35,37,45,62,64,67H,13-14,23-24,27,36,38H2/b54-47-,54-49-,55-48-,55-50-,56-51-,56-53-,57-52-,58-57-/t45-,60-/m1/s1
InChIKey DYJZCRQLUOQQKG-KKOPSJIASA-N
Literature Reference Author J.CAZELLE,A.ROBERT,B.MEUNIER
Literature Reference Citation J.ORG.CHEM.,67,609(2002)
Literature Reference DOI 10.1021/jo010688d
Molecular Weight 893.072 g/mol
Solvent CD2Cl2
Source File Reference UWMS23156