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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gp9ppF304R
Name Benzene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 78.046950193 u
Formula C6H6
InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey UHOVQNZJYSORNB-UHFFFAOYSA-N
Instrument Name Agilent GC
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202300590
Molecular Weight 78.114 g/mol
Quality 296
SMILES C=1C=CC=CC1
SPLASH splash10-004i-9000000000-41bc87389c87a8c49df4
Source of Spectrum K1-26-SM13-Table 2, entry 7 (DOI: 10.1002/ejoc.202300590)
Wiley ID 1911434