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Phenyl 2-nitro-benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Phenyl 2-nitro-benzoate
SpectraBase Compound ID DUXCcEjxmaW
InChI InChI=1S/C13H9NO4/c15-13(18-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H
InChIKey XRVCTNQAMRUSEB-UHFFFAOYSA-N
Mol Weight 243.22 g/mol
Molecular Formula C13H9NO4
Exact Mass 243.053158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9U78iVWrFxn
Name Phenyl 2-nitro-benzoate
CAS Registry Number 31042-59-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H9NO4
InChI InChI=1S/C13H9NO4/c15-13(18-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H
InChIKey XRVCTNQAMRUSEB-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference F.J. Williams, H.M. Relles, P.E. Donahue, J. Org. Chem. 42, 3425 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6