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3-Bromotoluene

View entire compound with spectra: 16 NMR, 9 FTIR, 1 Raman, 5 MS (GC), and 2 Near IR

3-Bromotoluene
SpectraBase Compound ID CgX79QvvXMM
InChI InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey WJIFKOVZNJTSGO-UHFFFAOYSA-N
Mol Weight 171.04 g/mol
Molecular Formula C7H7Br
Exact Mass 169.973113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9iSCoU1BvF8
Name 3-Bromo-toluene
CAS Registry Number 591-17-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H7Br
InChI InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey WJIFKOVZNJTSGO-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference J. Bromilow, R.T. Brownlee, D.J. Craik, M.Sadek, Magn. Res. Chem. 24, 862 (1986)
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3