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4-Neopentyltoluene
SpectraBase Compound ID 13n8U9QJP6U
InChI InChI=1S/C12H18/c1-10-5-7-11(8-6-10)9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKey XXIILALDVWROQQ-UHFFFAOYSA-N
Mol Weight 162.28 g/mol
Molecular Formula C12H18
Exact Mass 162.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BG058kmKF
Name 1-(2,2-dimethylpropyl)-4-methyl-benzene
Alternate Name(s) 1-Methyl-4-neopentyl-benzene
CAS Registry Number 24797-40-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18
InChI InChI=1S/C12H18/c1-10-5-7-11(8-6-10)9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKey XXIILALDVWROQQ-UHFFFAOYSA-N
Molecular Weight 162.276 g/mol
SMILES C(Cc1ccc(cc1)C)(C)(C)C
SPLASH splash10-0a4i-7900000000-8fcd1da7596df8355b36
Source of Spectrum F-46-2078-21
Wiley ID 1159225