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2-butyl-5-nitro-isoindoline-1,3-quinone
SpectraBase Compound ID 8wU6kKnY4d5
InChI InChI=1S/C12H12N2O4/c1-2-3-6-13-11(15)9-5-4-8(14(17)18)7-10(9)12(13)16/h4-5,7H,2-3,6H2,1H3
InChIKey LSVBBJVITBGNFC-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C12H12N2O4
Exact Mass 248.079707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ewoOgUptTj
Name 2-butyl-5-nitro-isoindoline-1,3-quinone
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O4
InChI InChI=1S/C12H12N2O4/c1-2-3-6-13-11(15)9-5-4-8(14(17)18)7-10(9)12(13)16/h4-5,7H,2-3,6H2,1H3
InChIKey LSVBBJVITBGNFC-UHFFFAOYSA-N
Literature Reference Author K.S.CHEON,P.M.KAZMAIER,S.R.KEUM,K.T.PARK,E.BUNCEL
Literature Reference Citation CAN.J.CHEM.,82,551(2004)
Literature Reference DOI 10.1139/v04-009
Molecular Weight 248.238 g/mol
Solvent DMSO-D6
Source File Reference UWVN27585