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January 28, 2026
C9H20
Datos Químicos de C9H20
ID
99764
Molecular Formula
C9H20
Elemental Composition %
C: 31.0344827586207%
H: 68.9655172413793%
O: 0%
N: 0%
Weight
128.258
Programa de Cálculo
G16
SMILES
CCC(C(C)C)C(C)C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VLHAGZNBWKUMRW-UHFFFAOYSA-N