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MIXTURE_OF_ISOMERS

View entire compound with spectra: 1 NMR

MIXTURE_OF_ISOMERS
SpectraBase Compound ID 65wwbJXUpCK
InChI InChI=1S/2C18H24N5O7.2C6H15N/c2*1-2-3-4-5-6-7-8-12(18-19-9-10-29-18)15-13(21(24)25)11-14(22(26)27)16-17(15)23(28)30-20-16;2*1-4-7(5-2)6-3/h2*11-12,15H,2-10H2,1H3;2*4-6H2,1-3H3/q2*-1;;/p+2
InChIKey BBFGHVXZMVRNSQ-UHFFFAOYSA-P
Mol Weight 1049.24 g/mol
Molecular Formula C48H80N12O14
Exact Mass 1048.591695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uPX2iB1GJf
Name MIXTURE_OF_ISOMERS
Compound Number 5-OB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H80N12O14
InChI InChI=1S/2C18H24N5O7.2C6H15N/c2*1-2-3-4-5-6-7-8-12(18-19-9-10-29-18)15-13(21(24)25)11-14(22(26)27)16-17(15)23(28)30-20-16;2*1-4-7(5-2)6-3/h2*11-12,15H,2-10H2,1H3;2*4-6H2,1-3H3/q2*-1;;/p+2
InChIKey BBFGHVXZMVRNSQ-UHFFFAOYSA-P
Literature Reference Author J.C.CHERTON,S.HAMM,M.J.POUET,J.C.HALLE,F.TERRIER
Literature Reference Citation J.CHEM.SOC.PERKIN-2,871(2002)
Literature Reference DOI 10.1039/b201045n
Molecular Weight 1049.235 g/mol
Solvent DMSO-D6
Source File Reference UWMZ22241