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XPSIILZCPAXYRE-UHFFFAOYSA-N
SpectraBase Compound ID HljeEyXcEXC
InChI InChI=1S/C7H8BrNO2/c1-3-5(4(2)8)7(11)9-6(3)10/h4H,1-2H3,(H,9,10,11)
InChIKey XPSIILZCPAXYRE-UHFFFAOYSA-N
Mol Weight 218.05 g/mol
Molecular Formula C7H8BrNO2
Exact Mass 216.973841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gPGW3btc0N
Name XPSIILZCPAXYRE-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8BrNO2
InChI InChI=1S/C7H8BrNO2/c1-3-5(4(2)8)7(11)9-6(3)10/h4H,1-2H3,(H,9,10,11)
InChIKey XPSIILZCPAXYRE-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 218.050 g/mol
Source File Reference MHKO8283