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January 28, 2026
C6H14
Datos Químicos de C6H14
ID
274
Molecular Formula
C6H14
Elemental Composition %
C: 30%
H: 70%
O: 0%
N: 0%
Weight
86.1772
Programa de Cálculo
G16
SMILES
CCCC(C)C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AFABGHUZZDYHJO-UHFFFAOYSA-N