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BPAJVBXXOHPRAA-UHFFFAOYSA-N

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BPAJVBXXOHPRAA-UHFFFAOYSA-N
SpectraBase Compound ID CHIJLwlq61H
InChI InChI=1S/C8H8ClNO4/c1-2-14-8(13)6-4(9)3-5(11)10-7(6)12/h3H,2H2,1H3,(H2,10,11,12)
InChIKey BPAJVBXXOHPRAA-UHFFFAOYSA-N
Mol Weight 217.61 g/mol
Molecular Formula C8H8ClNO4
Exact Mass 217.014185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SONd55qbN8
Name BPAJVBXXOHPRAA-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8ClNO4
InChI InChI=1S/C8H8ClNO4/c1-2-14-8(13)6-4(9)3-5(11)10-7(6)12/h3H,2H2,1H3,(H2,10,11,12)
InChIKey BPAJVBXXOHPRAA-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 217.609 g/mol
Source File Reference MHKO22502