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MQSPQQNIMJWXSE-BUHFOSPRSA-N

View entire compound with spectra: 1 NMR

MQSPQQNIMJWXSE-BUHFOSPRSA-N
SpectraBase Compound ID 91g0Ns1N73h
InChI InChI=1S/C11H12ClN3O2/c1-4-11(2,3)14-13-10-6-5-8(15(16)17)7-9(10)12/h4-7H,1H2,2-3H3/b14-13+
InChIKey MQSPQQNIMJWXSE-BUHFOSPRSA-N
Mol Weight 253.69 g/mol
Molecular Formula C11H12ClN3O2
Exact Mass 253.061804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RXYSjbiXGW
Name MQSPQQNIMJWXSE-BUHFOSPRSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12ClN3O2
InChI InChI=1S/C11H12ClN3O2/c1-4-11(2,3)14-13-10-6-5-8(15(16)17)7-9(10)12/h4-7H,1H2,2-3H3/b14-13+
InChIKey MQSPQQNIMJWXSE-BUHFOSPRSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 253.688 g/mol
Source File Reference MHKO21464