For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

MIXTURE_OF_ISOMERS

View entire compound with spectra: 1 NMR

MIXTURE_OF_ISOMERS
SpectraBase Compound ID EQCjtfbtslD
InChI InChI=1S/2C18H24N5O6S.2C6H15N/c2*1-2-3-4-5-6-7-8-12(18-19-9-10-30-18)15-13(21(24)25)11-14(22(26)27)16-17(15)23(28)29-20-16;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 BYOYHTHCHPPVNP-UHFFFAOYSA-P
Mol Weight 1081.36 g/mol
Molecular Formula C48H80N12O12S2
Exact Mass 1080.546008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HsIVJV8sKkm
Name MIXTURE_OF_ISOMERS
Compound Number 5-SB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H80N12O12S2
InChI InChI=1S/2C18H24N5O6S.2C6H15N/c2*1-2-3-4-5-6-7-8-12(18-19-9-10-30-18)15-13(21(24)25)11-14(22(26)27)16-17(15)23(28)29-20-16;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 BYOYHTHCHPPVNP-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 1081.356 g/mol
Solvent DMSO-D6
Source File Reference UWMZ22243