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January 28, 2026
C9H14
Datos Químicos de C9H14
ID
76463
Molecular Scaffold
dnd@@DjfRd[BjjjRHb@
Molecular Formula
C9H14
Elemental Composition %
C: 39.1304347826087%
H: 60.8695652173913%
O: 0%
N: 0%
Weight
122.21
Programa de Cálculo
G16
SMILES
C[C@H]([C@@H]1C)[C@]11[C@H]2C[C@@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-5-6(2)9(5)7-3-8(9)4-7/h5-8H,3-4H2,1-2H3/t5-,6+,7?,8?,9?
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UOODMGYTDUMGGA-GFQQECDTSA-N