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Cumene
SpectraBase Compound ID 2LwZ3kFDCId
InChI InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey RWGFKTVRMDUZSP-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 FmUubKL6dFD
Name Cumene
CAS Registry Number 98-82-8
Comments COUPLING CONSTANT FROM 2ND REFERENCE R.E.WASYLISHEN,K.CHUM,J.BUKATA,ORG.M
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12
InChI InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey RWGFKTVRMDUZSP-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference S.S. Hall, C.K. Sha, F. Jordan, J. Org. Chem. 41, 1494 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3