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4-Bromotoluene

View entire compound with spectra: 23 NMR, 9 FTIR, 1 Raman, and 14 MS (GC)

4-Bromotoluene
SpectraBase Compound ID LDM4ZPwAazk
InChI InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey ZBTMRBYMKUEVEU-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 HdkAD8q5dSh
Name 4-BROMTOLUOL
CAS Registry Number 106-38-7
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7Br
InChI InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey ZBTMRBYMKUEVEU-UHFFFAOYSA-N
Literature Reference Author W.F.BAILEY,E.A.CIOFFI,K.B.WIBERG
Literature Reference Citation J.ORG.CHEM.,46,4219(1981)
Literature Reference DOI 10.1021/jo00334a023
Molecular Weight 171.037 g/mol
Solvent CDCl3
Source File Reference UNIW20113