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1-[(E)-3,3-dimethylbut-1-enyl]-4-methyl-benzene
SpectraBase Compound ID GFR0C8bg6aG
InChI InChI=1S/C13H18/c1-11-5-7-12(8-6-11)9-10-13(2,3)4/h5-10H,1-4H3/b10-9+
InChIKey KUYMQFHXNHWPSN-MDZDMXLPSA-N
Mol Weight 174.29 g/mol
Molecular Formula C13H18
Exact Mass 174.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID esExcAFDmC
Name 1-[(E)-3,3-dimethylbut-1-enyl]-4-methyl-benzene
Alternate Name(s) 3,3-Dimethyl-1-(4-methylphenyl)-1-butene (E)-1-(3,3-dimethylbut-1-en-1-yl)-4-methylbenzene 1-[(E)-3,3-dimethylbut-1-enyl]-4-methylbenzene
CAS Registry Number 142039-30-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18
InChI InChI=1S/C13H18/c1-11-5-7-12(8-6-11)9-10-13(2,3)4/h5-10H,1-4H3/b10-9+
InChIKey KUYMQFHXNHWPSN-MDZDMXLPSA-N
Molecular Weight 174.287 g/mol
SMILES c1(\C=C\C(C)(C)C)ccc(cc1)C
SPLASH splash10-0ab9-0900000000-d804bc639b7930b0e349
Source of Spectrum J-63-721-2
Wiley ID 1171223