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3-Phenyl-3,4,4-trimethyl-1-pentyne
SpectraBase Compound ID 63jfMfvzKX
InChI InChI=1S/C14H18/c1-6-14(5,13(2,3)4)12-10-8-7-9-11-12/h1,7-11H,2-5H3
InChIKey ILHZVCOEOWKTDE-UHFFFAOYSA-N
Mol Weight 186.3 g/mol
Molecular Formula C14H18
Exact Mass 186.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zcSVVlLM9o
Name 3-Phenyl-3,4,4-trimethyl-1-pentyne
CAS Registry Number 109182-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18
InChI InChI=1S/C14H18/c1-6-14(5,13(2,3)4)12-10-8-7-9-11-12/h1,7-11H,2-5H3
InChIKey ILHZVCOEOWKTDE-UHFFFAOYSA-N
Molecular Weight 186.298 g/mol
SMILES C(C#C)(C(C)(C)C)(c1ccccc1)C
SPLASH splash10-0a7i-3900000000-b4df21d577059677d45f
Source of Spectrum J-52-3923-1
Synonyms (1-tert-butyl-1-methyl-2-propynyl)benzene
Wiley ID 1183539