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Toluene

View entire compound with spectra: 134 NMR, 16 FTIR, 4 Raman, 44 MS (GC), and 2 Near IR

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbHLnoLDsJK
Name Toluene
CAS Registry Number 108-88-3
Comments C-C-COUPLING FROM 2ND REFERENCE J.L.MARSHALL,A.M.IHRIG,ORG.MAGN
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C7H8
InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey YXFVVABEGXRONW-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference E. Breitmaier, G. Jung, L. Pohl, Tetrahedron 29, 2485 (1973).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid