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3,3-Dimethyl-1-(4-methylphenyl)-1-butene
SpectraBase Compound ID B0tLDEV1yHW
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-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 KvuewcD5Ggg
Name 3,3-Dimethyl-1-(4-methylphenyl)-1-butene
Alternate Name(s) (Z)-1-(3,3-dimethylbut-1-en-1-yl)-4-methylbenzene
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-KTKRTIGZSA-N
Literature Reference DOI 10.1021/ol2018664
Molecular Weight 174.287 g/mol
SMILES C(C)(C)(\C=C/c1ccc(cc1)C)C
SPLASH splash10-0a4i-0900000000-3fcce17e2373dd43ef33
Source of Spectrum A1-13-4656/SMS6-5f_Zisomer
Wiley ID 1753690