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NFXRJMOCQCAJTA-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

NFXRJMOCQCAJTA-UHFFFAOYSA-N
SpectraBase Compound ID 7LYIqBeQBAw
InChI InChI=1S/C55H46ClN3O10.2O.U/c56-39-20-21-46(60)45(32-39)59-55(63)42-31-36-10-2-4-14-41(36)51-50-40-13-3-1-9-35(40)19-22-47(50)66-27-23-64-24-28-67-48-17-7-11-37(52(48)61)33-57-43-15-5-6-16-44(43)58-34-38-12-8-18-49(53(38)62)68-29-25-65-26-30-69-54(42)51;;;/h1-22,31-34,60-62H,23-30H2,(H,59,63);;;
InChIKey NFXRJMOCQCAJTA-UHFFFAOYSA-N
Mol Weight 1214.5 g/mol
Molecular Formula C55H46ClN3O12U
Exact Mass 1213.327792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jv1wcdorNVr
Name NFXRJMOCQCAJTA-UHFFFAOYSA-N
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H46ClN3O12U
InChI InChI=1S/C55H46ClN3O10.2O.U/c56-39-20-21-46(60)45(32-39)59-55(63)42-31-36-10-2-4-14-41(36)51-50-40-13-3-1-9-35(40)19-22-47(50)66-27-23-64-24-28-67-48-17-7-11-37(52(48)61)33-57-43-15-5-6-16-44(43)58-34-38-12-8-18-49(53(38)62)68-29-25-65-26-30-69-54(42)51;;;/h1-22,31-34,60-62H,23-30H2,(H,59,63);;;
InChIKey NFXRJMOCQCAJTA-UHFFFAOYSA-N
Literature Reference Author A.M.REICHWEIN,W.VERBOOM,D.N.REINHOUDT
Literature Reference Citation REC.TR.CH.P.-B.,112,595(1993)
Literature Reference DOI 10.1002/recl.19931121106
Molecular Weight 1214.465 g/mol
Solvent DMSO-D6
Source File Reference UWTS2510