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3-Chlorotoluene

View entire compound with spectra: 57 NMR, 10 FTIR, 2 Raman, 12 MS (GC), and 2 Near IR

3-Chlorotoluene
SpectraBase Compound ID FWsq7eR9RBZ
InChI InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey OSOUNOBYRMOXQQ-UHFFFAOYSA-N
Mol Weight 126.59 g/mol
Molecular Formula C7H7Cl
Exact Mass 126.023628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4zxGO7D02X
Name 3-CHLORTOLUOL
CAS Registry Number 108-41-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7Cl
InChI InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey OSOUNOBYRMOXQQ-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 126.586 g/mol
Solvent CDCl3
Source File Reference UNIW20108