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2-butyl-5-chloro-isoindoline-1,3-quinone

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2-butyl-5-chloro-isoindoline-1,3-quinone
SpectraBase Compound ID ECQ85DKgTSk
InChI InChI=1S/C12H12ClNO2/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16/h4-5,7H,2-3,6H2,1H3
InChIKey OVZMDALKVWTJIF-UHFFFAOYSA-N
Mol Weight 237.69 g/mol
Molecular Formula C12H12ClNO2
Exact Mass 237.055656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oSMo9pXMxZ
Name 2-butyl-5-chloro-isoindoline-1,3-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12ClNO2
InChI InChI=1S/C12H12ClNO2/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16/h4-5,7H,2-3,6H2,1H3
InChIKey OVZMDALKVWTJIF-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 237.686 g/mol
Source File Reference MHKO15216