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January 28, 2026
C9H14
Datos Químicos de C9H14
ID
72138
Molecular Scaffold
daT@@DjUrhf[jjjk@UIh@
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@@H]2C[C@@H]3C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-9-5-6-2-7(9)4-8(9)3-6/h6-8H,2-5H2,1H3/t6-,7-,8-,9+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AWRWZEWPHZRADI-BGZDPUMWSA-N