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Trimer of{[4-(t-Butyl)phenyl]acetylene}
SpectraBase Compound ID LrhSHnww86U
InChI InChI=1S/3C12H14.72CH4/c3*1-5-10-6-8-11(9-7-10)12(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1,6-9H,2-4H3;72*1H4
InChIKey MDJACCYDBMZXNI-UHFFFAOYSA-N
Mol Weight 1629.83 g/mol
Molecular Formula C108H330
Exact Mass 1628.582261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyT92MCQXZC
Name Trimer of{[4-(t-Butyl)phenyl]acetylene}
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H42
InChI InChI=1S/3C12H14.72CH4/c3*1-5-10-6-8-11(9-7-10)12(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1,6-9H,2-4H3;72*1H4
InChIKey MDJACCYDBMZXNI-UHFFFAOYSA-N
Molecular Weight 1629.828 g/mol
SMILES C.C.C.c1c(ccc(c1)C(C)(C)C)C#C.c1c(ccc(c1)C(C)(C)C)C#C.c1c(ccc(c1)C(C)(C)C)C#C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C
SPLASH splash10-0005-0079400000-9dbcdff891bb2354fb7d
Source of Spectrum C-121-3017-G-3
Wiley ID 1700124