John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7joRI0juZmN SpectraBase Spectrum ID=GC5DWNfeTqq

(accessed ).
SMEWLRZMVWWJET-UHFFFAOYSA-M
SpectraBase Compound ID 7joRI0juZmN
InChI InChI=1S/C32H37N7.BrH/c33-31-30-32(35-23-34-30)39(24-36-31)22-28-13-9-26(10-14-28)6-2-1-5-25-7-11-27(12-8-25)21-37-19-15-29(16-20-37)38-17-3-4-18-38;/h7-16,19-20,23-24H,1-6,17-18,21-22H2,(H2,33,36)(H,34,35);1H/q+1;/p-1
InChIKey SMEWLRZMVWWJET-UHFFFAOYSA-M
Mol Weight 599.6 g/mol
Molecular Formula C32H37BrN7
Exact Mass 598.229381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GC5DWNfeTqq
Name SMEWLRZMVWWJET-UHFFFAOYSA-M
Compound Number 13
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H37BrN7
InChI InChI=1S/C32H37N7.BrH/c33-31-30-32(35-23-34-30)39(24-36-31)22-28-13-9-26(10-14-28)6-2-1-5-25-7-11-27(12-8-25)21-37-19-15-29(16-20-37)38-17-3-4-18-38;/h7-16,19-20,23-24H,1-6,17-18,21-22H2,(H2,33,36)(H,34,35);1H/q+1;/p-1
InChIKey SMEWLRZMVWWJET-UHFFFAOYSA-M
Literature Reference Author B.RUBIO-RUIZ,A.CONEJO-GARCIA,M.A.GALLO,A.ESPINOSA,A.ENTRENA
Literature Reference Citation MAGN.RES.CHEM.,50,466(2012)
Literature Reference DOI 10.1002/mrc.3817
Molecular Weight 599.597 g/mol
Solvent CD3OD
Source File Reference UWBT16082
SpectraBase Batch ID 45y9qReppe6