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alpha-Chloro-o-xylene

View entire compound with spectra: 11 NMR, 5 FTIR, 8 MS (GC), and 2 Near IR

alpha-Chloro-o-xylene
SpectraBase Compound ID J618369rypP
InChI InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
InChIKey VQRBXYBBGHOGFT-UHFFFAOYSA-N
Mol Weight 140.61 g/mol
Molecular Formula C8H9Cl
Exact Mass 140.039278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FaO6oTp5cL
Name 2-Chloromethyl-toluene
CAS Registry Number 552-45-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9Cl
InChI InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
InChIKey VQRBXYBBGHOGFT-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference J.L. Marshall, L.G. Faehl, R. Kattner, Org. Magn. Resonance 12, 169 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3