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January 28, 2026
C9H14
Datos Químicos de C9H14
ID
76820
Molecular Scaffold
dnD@@DjYrbZjjdAQ@_p`Xf@
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]1[C@H](CC[CH]2)[C@@]2[C@@H]1C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H15/c1-6-7(2)9-5-3-4-8(6)9/h4,6-9H,3,5H2,1-2H3/t6-,7+,8+,9-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RJEXAYSBNFFEQI-KDXUFGMBSA-N