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KXLYDMYMNDAXPA-OZBAJCLESA-N

View entire compound with spectra: 1 NMR

KXLYDMYMNDAXPA-OZBAJCLESA-N
SpectraBase Compound ID D0PkGQfaeRq
InChI InChI=1S/C11H15N5O3S/c1-20-8-7(18)5(2-17)19-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8+,11-/m0/s1
InChIKey KXLYDMYMNDAXPA-OZBAJCLESA-N
Mol Weight 297.33 g/mol
Molecular Formula C11H15N5O3S
Exact Mass 297.089561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WJOh3ABYU4
Name KXLYDMYMNDAXPA-OZBAJCLESA-N
Compound Number 22B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H15N5O3S
InChI InChI=1S/C11H15N5O3S/c1-20-8-7(18)5(2-17)19-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8+,11-/m0/s1
InChIKey KXLYDMYMNDAXPA-OZBAJCLESA-N
Literature Reference Author M.J.ROBINS,S.F.WNUK,A.E.HERNANDEZ-THIRRING,M.C.SAMANO
Literature Reference Citation J.AM.CHEM.SOC.,118,11341(1996)
Literature Reference DOI 10.1021/ja962117m
Molecular Weight 297.332 g/mol
Sample ID 54448
Solvent DMSO-D6