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3-NITRO-4-(NITROMETHYL)-CHROMAN-2-ONE

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3-NITRO-4-(NITROMETHYL)-CHROMAN-2-ONE
SpectraBase Compound ID 4fjqNyyByw5
InChI InChI=1S/C10H8N2O6/c13-10-9(12(16)17)7(5-11(14)15)6-3-1-2-4-8(6)18-10/h1-4,7,9H,5H2
InChIKey ORIFKOCHFPNUAS-UHFFFAOYSA-N
Mol Weight 252.18 g/mol
Molecular Formula C10H8N2O6
Exact Mass 252.038236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFT4Axo1gzk
Name 3-NITRO-4-(NITROMETHYL)-CHROMAN-2-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8N2O6
InChI InChI=1S/C10H8N2O6/c13-10-9(12(16)17)7(5-11(14)15)6-3-1-2-4-8(6)18-10/h1-4,7,9H,5H2
InChIKey ORIFKOCHFPNUAS-UHFFFAOYSA-N
Literature Reference Author E.D.ILIEVA,N.I.PETKOVA,R.D.NIKOLOVA
Literature Reference Citation MOLECULES,17,4936(2012)
Literature Reference DOI 10.3390/molecules17054936
Molecular Weight 252.183 g/mol
Sample ID 1040
Solvent DMSO-D6