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alpha-CHLORO-p-NITROTOLUENE

View entire compound with spectra: 13 NMR, 6 FTIR, 1 Raman, and 3 MS (GC)

alpha-CHLORO-p-NITROTOLUENE
SpectraBase Compound ID AUjcSUyBF1D
InChI InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey KGCNHWXDPDPSBV-UHFFFAOYSA-N
Mol Weight 171.58 g/mol
Molecular Formula C7H6ClNO2
Exact Mass 171.008706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEuC0fIayZM
Name PARA-NITROBENZYL-CHLORIDE
Compound Number 3N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6ClNO2
InChI InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey KGCNHWXDPDPSBV-UHFFFAOYSA-N
Literature Reference Author M.YASUDA,S.YAMASAKI,Y.ONISHI,A.BABA
Literature Reference Citation J.AM.CHEM.SOC.,126,7186(2004)
Literature Reference DOI 10.1021/ja048688t
Molecular Weight 171.583 g/mol
Solvent CDCl3
Source File Reference UWSI27260