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2-Bromotoluene

View entire compound with spectra: 34 NMR, 11 FTIR, 8 MS (GC), and 2 Near IR

2-Bromotoluene
SpectraBase Compound ID 2QI60rwavvN
InChI InChI=1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey QSSXJPIWXQTSIX-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 AklHoQ1oTDm
Name 2-BROMTOLUOL
CAS Registry Number 95-46-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7Br
InChI InChI=1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey QSSXJPIWXQTSIX-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 UNIW20105