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January 28, 2026
C9H16
Datos Químicos de C9H16
ID
92591
Molecular Scaffold
dnD@@DjYrbZjjha@@
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@@]2(C)[C@@H]1CCC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H16/c1-7-6-8-4-3-5-9(7,8)2/h7-8H,3-6H2,1-2H3/t7-,8-,9+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OFPUNLSJXULVSB-HLTSFMKQSA-N