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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 E9E8ZoHLMxp
Name 3-BROMTOLUOL
CAS Registry Number 591-17-3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
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 UNIW20109