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January 28, 2026
C9H16
Datos Químicos de C9H16
ID
64258
Molecular Scaffold
dnD@@DjWrjZjjdBT`@
Molecular Formula
C9H16
Elemental Composition %
C: 36%
H: 64%
O: 0%
N: 0%
Weight
124.226
Programa de Cálculo
G16
SMILES
CC1(C)[C@H](C2)C[C@H]2CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H16/c1-9(2)4-3-7-5-8(9)6-7/h7-8H,3-6H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FHZVRVDZKMTDJB-UHFFFAOYSA-N