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Benzene

View entire compound with spectra: 319 NMR, 20 FTIR, 3 Raman, 38 MS (GC), and 2 Near IR

Benzene
SpectraBase Compound ID IG4vKOtLCxH
InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey UHOVQNZJYSORNB-UHFFFAOYSA-N
Mol Weight 78.11 g/mol
Molecular Formula C6H6
Exact Mass 78.04695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tRYjIPaFpI
Name BENZENE
CAS Registry Number 71-43-2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6
InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey UHOVQNZJYSORNB-UHFFFAOYSA-N
Literature Reference Author D.FARCASIU,S.L.FISK,M.T.MELCHOIR,K.D.ROSE
Literature Reference Citation J.ORG.CHEM.,47,453(1982)
Literature Reference DOI 10.1021/jo00342a015
Molecular Weight 78.114 g/mol
Solvent HBr:ALBr3=4.1:1
Source File Reference UNIW20091