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3-Neopentyl Toluene
SpectraBase Compound ID 7uWTz7hBMdU
InChI InChI=1S/C12H18/c1-10-6-5-7-11(8-10)9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKey ZFGLNABMBQZVKV-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 8zsiGl57JBY
Name 1-(2,2-dimethylpropyl)-3-methyl-benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18
InChI InChI=1S/C12H18/c1-10-6-5-7-11(8-10)9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKey ZFGLNABMBQZVKV-UHFFFAOYSA-N
Molecular Weight 162.276 g/mol
SMILES c1(CC(C)(C)C)cc(C)ccc1
SPLASH splash10-0a4i-9800000000-5da8b63025ec2d6b8c14
Source of Spectrum J-59-5594-6
Synonyms 1-(2,2-dimethylpropyl)-3-methylbenzene
Wiley ID 1159244