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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 CVry4EgsMLQ
Name alpha-CHLORO-p-NITROTOLUENE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 100-14-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Melting Point 73C
Molecular Weight 171.58
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms TOLUENE, alpha-CHLORO-p-NITRO-, BENZYL CHLORIDE, p-NITRO-,