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omega-CHLOROTOLUENE

View entire compound with spectra: 58 NMR, 9 FTIR, 1 Raman, 15 MS (GC), and 2 Near IR

omega-CHLOROTOLUENE
SpectraBase Compound ID J6LtaAcu0NV
InChI InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey IBSQPLPBRSHTTG-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 KJdMPgsNgXm
Name ORTHO-CHLORTOLUOL
CAS Registry Number 95-49-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7Cl
InChI InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey IBSQPLPBRSHTTG-UHFFFAOYSA-N
Literature Reference Author W.B.SMITH,T.W.PROULX
Literature Reference Citation ORG.MAGN.RES.,8,567(1976)
Literature Reference DOI 10.1002/mrc.1270081107
Molecular Weight 126.586 g/mol
Solvent CDCl3
Source File Reference UNIW6723