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3-METHYL-5-[3-(3-METHYL-4-NITRO-5-ISOXAZOLYL)-2-(4-METHYLPHENYL)-PROPYL]-4-NITROISOXAZOLE
SpectraBase Compound ID 5nFYQFc4mgb
InChI InChI=1S/C18H18N4O6/c1-10-4-6-13(7-5-10)14(8-15-17(21(23)24)11(2)19-27-15)9-16-18(22(25)26)12(3)20-28-16/h4-7,14H,8-9H2,1-3H3
InChIKey NYIWNEUWOZPUMU-UHFFFAOYSA-N
Mol Weight 386.36 g/mol
Molecular Formula C18H18N4O6
Exact Mass 386.122634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tIg5m2CWbX
Name 3-METHYL-5-[3-(3-METHYL-4-NITRO-5-ISOXAZOLYL)-2-(4-METHYLPHENYL)-PROPYL]-4-NITROISOXAZOLE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N4O6
InChI InChI=1S/C18H18N4O6/c1-10-4-6-13(7-5-10)14(8-15-17(21(23)24)11(2)19-27-15)9-16-18(22(25)26)12(3)20-28-16/h4-7,14H,8-9H2,1-3H3
InChIKey NYIWNEUWOZPUMU-UHFFFAOYSA-N
Literature Reference Author E.RAJANARENDAR,S.RAJU,A.S.R.REDDY,K.G.REDDY,M.N.REDDY
Literature Reference Citation CHEM.PHARM.BULL.,58,833(2010)
Literature Reference DOI 10.1248/cpb.58.833
Molecular Weight 386.364 g/mol
Source File Reference UWBT3643