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Toluene
SpectraBase Compound ID BuMrYXxCSAr
InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey YXFVVABEGXRONW-UHFFFAOYSA-N
Mol Weight 92.14 g/mol
Molecular Formula C7H8
Exact Mass 92.0626 g/mol

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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfrRZrV98Lq
Name TOLUOL
CAS Registry Number 108-88-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8
InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey YXFVVABEGXRONW-UHFFFAOYSA-N
Literature Reference Author M.J.SHAPIRO
Literature Reference Citation J.ORG.CHEM.,41,3197(1976)
Literature Reference DOI 10.1021/jo00881a029
Molecular Weight 92.141 g/mol
Solvent CDCl3
Source File Reference UNIW9601