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January 28, 2026
C9H16
Datos Químicos de C9H16
ID
89178
Molecular Scaffold
gJp@DjYdZjiD@
Molecular Formula
C9H16
Elemental Composition %
C: 36%
H: 64%
O: 0%
N: 0%
Weight
124.226
Programa de Cálculo
G16
SMILES
C[C@@H](C1)[C@@H]2[C@@]1(C)C2(C)C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H16/c1-6-5-9(4)7(6)8(9,2)3/h6-7H,5H2,1-4H3/t6-,7-,9+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DDDQOHWQYMCWMQ-BHNWBGBOSA-N