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GKVAZZVVQHHOHA-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

GKVAZZVVQHHOHA-UHFFFAOYSA-N
SpectraBase Compound ID 74Ry5cHsbsH
InChI InChI=1S/C59H60ClN3O12.2O.U/c60-43-20-21-50(64)49(36-43)63-59(67)46-35-40-10-2-4-14-45(40)55-54-44-13-3-1-9-39(44)19-22-51(54)72-31-27-68-23-24-69-28-32-73-52-17-7-11-41(56(52)65)37-61-47-15-5-6-16-48(47)62-38-42-12-8-18-53(57(42)66)74-33-29-70-25-26-71-30-34-75-58(46)55;;;/h1-4,7-14,17-22,35-38,47-48,64-66H,5-6,15-16,23-34H2,(H,63,67);;;
InChIKey GKVAZZVVQHHOHA-UHFFFAOYSA-N
Mol Weight 1308.6 g/mol
Molecular Formula C59H60ClN3O14U
Exact Mass 1307.427171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaBpWB36yaj
Name GKVAZZVVQHHOHA-UHFFFAOYSA-N
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H60ClN3O14U
InChI InChI=1S/C59H60ClN3O12.2O.U/c60-43-20-21-50(64)49(36-43)63-59(67)46-35-40-10-2-4-14-45(40)55-54-44-13-3-1-9-39(44)19-22-51(54)72-31-27-68-23-24-69-28-32-73-52-17-7-11-41(56(52)65)37-61-47-15-5-6-16-48(47)62-38-42-12-8-18-53(57(42)66)74-33-29-70-25-26-71-30-34-75-58(46)55;;;/h1-4,7-14,17-22,35-38,47-48,64-66H,5-6,15-16,23-34H2,(H,63,67);;;
InChIKey GKVAZZVVQHHOHA-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 1308.619 g/mol
Solvent DMSO-D6
Source File Reference UWTS2517