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January 28, 2026
C9H20
Datos Químicos de C9H20
ID
101816
Molecular Formula
C9H20
Elemental Composition %
C: 31.0344827586207%
H: 68.9655172413793%
O: 0%
N: 0%
Weight
128.258
Programa de Cálculo
G16
SMILES
CC[C@@H](C)CCC(C)C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3/t9-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HQZHQNKZOYIKQC-SECBINFHSA-N