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JTHZHUISRRARBT-UHFFFAOYSA-L

View entire compound with spectra: 1 NMR

JTHZHUISRRARBT-UHFFFAOYSA-L
SpectraBase Compound ID HoLvPrBDqFw
InChI InChI=1S/C37H41ClN4.2BrH/c1-39(2)35-20-24-41(25-21-35)28-32-12-8-30(9-13-32)6-4-5-7-31-10-14-33(15-11-31)29-42-26-22-37(23-27-42)40(3)36-18-16-34(38)17-19-36;;/h8-27H,4-7,28-29H2,1-3H3;2*1H/q+2;;/p-2
InChIKey JTHZHUISRRARBT-UHFFFAOYSA-L
Mol Weight 737.024 g/mol
Molecular Formula C37H41Br2ClN4
Exact Mass 734.138651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJHMJwufrms
Name JTHZHUISRRARBT-UHFFFAOYSA-L
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H41Br2ClN4
InChI InChI=1S/C37H41ClN4.2BrH/c1-39(2)35-20-24-41(25-21-35)28-32-12-8-30(9-13-32)6-4-5-7-31-10-14-33(15-11-31)29-42-26-22-37(23-27-42)40(3)36-18-16-34(38)17-19-36;;/h8-27H,4-7,28-29H2,1-3H3;2*1H/q+2;;/p-2
InChIKey JTHZHUISRRARBT-UHFFFAOYSA-L
Literature Reference Author B.RUBIO-RUIZ,A.ESPINOSA,A.E.GUADIX,A.CONEJO-GARCIA
Literature Reference Citation MAGN.RES.CHEM.,52,470(2014)
Literature Reference DOI 10.1002/mrc.4093
Molecular Weight 737.020 g/mol
Solvent CD3OD
Source File Reference UWBT15751