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3,3-Dimethyl-1-(2-methylphenyl)-1-butene
SpectraBase Compound ID Frlj4cxeCGu
InChI InChI=1S/C13H18/c1-11-7-5-6-8-12(11)9-10-13(2,3)4/h5-10H,1-4H3/b10-9-
InChIKey SLXXLSVACBVNDV-KTKRTIGZSA-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 3j7d8ca2mjK
Name 3,3-Dimethyl-1-(2-methylphenyl)-1-butene
Alternate Name(s) (Z)-1-(3,3-dimethylbut-1-en-1-yl)-2-methylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18
InChI InChI=1S/C13H18/c1-11-7-5-6-8-12(11)9-10-13(2,3)4/h5-10H,1-4H3/b10-9-
InChIKey SLXXLSVACBVNDV-KTKRTIGZSA-N
Literature Reference DOI 10.1021/ol2018664
Molecular Weight 174.287 g/mol
SMILES c1cccc(\C=C/C(C)(C)C)c1C
SPLASH splash10-0a4i-0900000000-25474ec92703a0257f7e
Source of Spectrum A1-13-4656/SMS7-5h_Zisomer
Wiley ID 1753693