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January 28, 2026
C9H14
Datos Químicos de C9H14
ID
73535
Molecular Scaffold
daT@@Djfhj[jjji@eH@
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@@]1([C@H](C2)C3)[C@]23CCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-8-3-2-4-9(8)5-7(8)6-9/h7H,2-6H2,1H3/t7?,8-,9?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HFGBLSICQHLQIO-QJAFJHJLSA-N