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January 28, 2026
C9H16
Datos Químicos de C9H16
ID
60133
Molecular Scaffold
gJp@DjTZj`@
Molecular Formula
C9H16
Elemental Composition %
C: 36%
H: 64%
O: 0%
N: 0%
Weight
124.226
Programa de Cálculo
G16
SMILES
CC(C)C[C@H]1[C@H]2C[C@@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H16/c1-6(2)3-9-7-4-8(9)5-7/h6-9H,3-5H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WYWARKOMPPUFQZ-UHFFFAOYSA-N