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3-Nitro-benzoic acid, isopropyl ester
SpectraBase Compound ID gNagjalI9D
InChI InChI=1S/C10H11NO4/c1-7(2)15-10(12)8-4-3-5-9(6-8)11(13)14/h3-7H,1-2H3
InChIKey ICDANRFRDBFMRY-UHFFFAOYSA-N
Mol Weight 209.2 g/mol
Molecular Formula C10H11NO4
Exact Mass 209.068808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHn3CeSFKLP
Name 3-Nitro-benzoic acid, isopropyl ester
CAS Registry Number 6268-23-1
Comments SHIFT OF C3 CHANGED TO 147.6 PPM
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Formula C10H11NO4
InChI InChI=1S/C10H11NO4/c1-7(2)15-10(12)8-4-3-5-9(6-8)11(13)14/h3-7H,1-2H3
InChIKey ICDANRFRDBFMRY-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference F.J. Williams, H.M. Relles, J.S. Manello, J. Org. Chem. 42, 3419 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6