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January 28, 2026
C9H16
Datos Químicos de C9H16
ID
39677
Molecular Scaffold
diT@@DjYVa[jjjh@@
Molecular Formula
C9H16
Elemental Composition %
C: 36%
H: 64%
O: 0%
N: 0%
Weight
124.226
Programa de Cálculo
G16
SMILES
C(C1)CC1C1CCCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H16/c1-2-5-8(4-1)9-6-3-7-9/h8-9H,1-7H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XILPGHLPTFYDNG-UHFFFAOYSA-N