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NQHQNBYLZDMKIR-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

NQHQNBYLZDMKIR-UHFFFAOYSA-N
SpectraBase Compound ID Kl4UJIjVIM6
InChI InChI=1S/C60H63N3O12.2O.U/c1-40-20-22-51(64)50(36-40)63-60(67)47-37-42-11-3-5-15-46(42)56-55-45-14-4-2-10-41(45)21-23-52(55)72-32-28-68-24-25-69-29-33-73-53-18-8-12-43(57(53)65)38-61-48-16-6-7-17-49(48)62-39-44-13-9-19-54(58(44)66)74-34-30-70-26-27-71-31-35-75-59(47)56;;;/h2-5,8-15,18-23,36-39,48-49,64-66H,6-7,16-17,24-35H2,1H3,(H,63,67);;;
InChIKey NQHQNBYLZDMKIR-UHFFFAOYSA-N
Mol Weight 1288.2 g/mol
Molecular Formula C60H63N3O14U
Exact Mass 1287.481794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6b4HvshbxDa
Name NQHQNBYLZDMKIR-UHFFFAOYSA-N
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H63N3O14U
InChI InChI=1S/C60H63N3O12.2O.U/c1-40-20-22-51(64)50(36-40)63-60(67)47-37-42-11-3-5-15-46(42)56-55-45-14-4-2-10-41(45)21-23-52(55)72-32-28-68-24-25-69-29-33-73-53-18-8-12-43(57(53)65)38-61-48-16-6-7-17-49(48)62-39-44-13-9-19-54(58(44)66)74-34-30-70-26-27-71-31-35-75-59(47)56;;;/h2-5,8-15,18-23,36-39,48-49,64-66H,6-7,16-17,24-35H2,1H3,(H,63,67);;;
InChIKey NQHQNBYLZDMKIR-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 1288.201 g/mol
Solvent DMSO-D6
Source File Reference UWTS2514