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2-nitro-3,5-xylenol

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2-nitro-3,5-xylenol
SpectraBase Compound ID F98EFBn0Fmw
InChI InChI=1S/C8H9NO3/c1-5-3-6(2)8(9(11)12)7(10)4-5/h3-4,10H,1-2H3
InChIKey YXNYMZXPUWOUJT-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DdYjsq8SQLl
Name Phenol, 3,5-dimethyl-2-nitro-
CAS Registry Number 5345-09-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-5-3-6(2)8(9(11)12)7(10)4-5/h3-4,10H,1-2H3
InChIKey YXNYMZXPUWOUJT-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference S.R. Salman, F.S. Kamounah, Magn. Res. Chem. 25, 966 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3