John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9tHe2H6zgVy SpectraBase Spectrum ID=2vVPX1JrmFU

(accessed ).
XEILJYOCZUEMTP-NTMALXAHSA-N
SpectraBase Compound ID 9tHe2H6zgVy
InChI InChI=1S/C12H17N3O3/c1-4-18-12(17)8(6-13)10-14-9(5-7(2)3)11(16)15-10/h7,9,14H,4-5H2,1-3H3,(H,15,16)/b10-8-
InChIKey XEILJYOCZUEMTP-NTMALXAHSA-N
Mol Weight 251.29 g/mol
Molecular Formula C12H17N3O3
Exact Mass 251.126992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vVPX1JrmFU
Name XEILJYOCZUEMTP-NTMALXAHSA-N
CAS Registry Number 127855-64-5
Compound Number 6H
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17N3O3
InChI InChI=1S/C12H17N3O3/c1-4-18-12(17)8(6-13)10-14-9(5-7(2)3)11(16)15-10/h7,9,14H,4-5H2,1-3H3,(H,15,16)/b10-8-
InChIKey XEILJYOCZUEMTP-NTMALXAHSA-N
Literature Reference Author R.NEIDLEIN,Z.SUI
Literature Reference Citation CHEM.BER.,123,2203(1990)
Literature Reference DOI 10.1002/cber.19901231119
Molecular Weight 251.285 g/mol
Solvent DMSO-D6
Source File Reference UWED6763
SpectraBase Batch ID HzuujtG9MXS