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2-Isobutyl-3-nitro-1-phthalate anion

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2-Isobutyl-3-nitro-1-phthalate anion
SpectraBase Compound ID LsR7yyNy0PZ
InChI InChI=1S/C12H13NO6/c1-7(2)6-19-12(16)10-8(11(14)15)4-3-5-9(10)13(17)18/h3-5,7H,6H2,1-2H3,(H,14,15)/p-1
InChIKey ROAZGIBVEUZIRR-UHFFFAOYSA-M
Mol Weight 266.23 g/mol
Molecular Formula C12H12NO6
Exact Mass 266.066462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0C1P9eqSiO
Name 2-Isobutyl-3-nitro-1-phthalate anion
Comments SODIUM SALT SHIFT OF 68.60 PPM FOR C10 OMITTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12NO6
InChI InChI=1S/C12H13NO6/c1-7(2)6-19-12(16)10-8(11(14)15)4-3-5-9(10)13(17)18/h3-5,7H,6H2,1-2H3,(H,14,15)/p-1
InChIKey ROAZGIBVEUZIRR-UHFFFAOYSA-M
Instrument Name Varian XL-100
Literature Reference H.M. Relles, D.S. Johnson, J.S. Manello, J. Am. Chem. Soc. 99, 6677 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMF-D7