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January 28, 2026
C8H14
Datos Químicos de C8H14
ID
18123
Molecular Scaffold
dad@@DjYRZnjjjPIB@
Molecular Formula
C8H14
Elemental Composition %
C: 36.3636363636364%
H: 63.6363636363636%
O: 0%
N: 0%
Weight
110.199
Programa de Cálculo
G16
SMILES
C(C1)C[C@H]2[C@@H]1CCC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AEBWATHAIVJLTA-UHFFFAOYSA-N