Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H16
Datos Químicos de C9H16
ID
40283
Molecular Scaffold
diT@@LddRJpnFjjj@@
Molecular Formula
C9H16
Elemental Composition %
C: 36%
H: 64%
O: 0%
N: 0%
Weight
124.226
Programa de Cálculo
G16
SMILES
C(C1)C11CCCCCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H16/c1-2-4-6-9(5-3-1)7-8-9/h1-8H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DVDJICIUXXAIKJ-UHFFFAOYSA-N