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1,2,3-Trimethylbenzene

View entire compound with spectra: 27 NMR, 6 FTIR, and 25 MS (GC)

1,2,3-Trimethylbenzene
SpectraBase Compound ID 5Lp5JnoJSOu
InChI InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
InChIKey FYGHSUNMUKGBRK-UHFFFAOYSA-N
Mol Weight 120.19 g/mol
Molecular Formula C9H12
Exact Mass 120.0939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeAc1bZ4FiL
Name Benzene, 1,2,3-trimethyl-
CAS Registry Number 526-73-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12
InChI InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
InChIKey FYGHSUNMUKGBRK-UHFFFAOYSA-N
Instrument Name Varian SC-300
Literature Reference Z.W. Qiu, D.M. Grant, R.J. Pugmuire, J. Am. Chem. Soc. 104, 2747 (1982).
NMR Standard Cyclohexane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3