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2,5-Octadiyne, 4,4-diethyl-
SpectraBase Compound ID FDgeZ2IDglX
InChI InChI=1S/C12H18/c1-5-9-11-12(7-3,8-4)10-6-2/h5,7-8H2,1-4H3
InChIKey QRKLQOICBQCZMS-UHFFFAOYSA-N
Mol Weight 162.28 g/mol
Molecular Formula C12H18
Exact Mass 162.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kgc3bGB0cPu
Name 2,5-Octadiyne, 4,4-diethyl-
CAS Registry Number 61227-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18
InChI InChI=1S/C12H18/c1-5-9-11-12(7-3,8-4)10-6-2/h5,7-8H2,1-4H3
InChIKey QRKLQOICBQCZMS-UHFFFAOYSA-N
Molecular Weight 162.276 g/mol
SMILES C(C(C#CC)(CC)CC)#CCC
SPLASH splash10-001i-3900000000-8a1dea869d29fa04f05d
Source of Spectrum C-98-8431-0
Synonyms 4,4-Diethyl-2,5-octadiyne 4,4-Diethylocta-2,5-diyne
Wiley ID 1159080