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Phenyl 3-nitro-benzoate
SpectraBase Compound ID Hbi3zRrPBvp
InChI InChI=1S/C13H9NO4/c15-13(18-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(16)17/h1-9H
InChIKey RJWPNHVUFZWZIT-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 UAw6s4eTwq
Name Phenyl 3-nitro-benzoate
CAS Registry Number 1906-43-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H9NO4
InChI InChI=1S/C13H9NO4/c15-13(18-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(16)17/h1-9H
InChIKey RJWPNHVUFZWZIT-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