Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H16
Datos Químicos de C9H16
ID
59664
Molecular Scaffold
gGp@DjeWFjj@@
Molecular Formula
C9H16
Elemental Composition %
C: 36%
H: 64%
O: 0%
N: 0%
Weight
124.226
Programa de Cálculo
G16
SMILES
CC(C)[C@@H]1C2(CC2)CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H16/c1-7(2)8-3-4-9(8)5-6-9/h7-8H,3-6H2,1-2H3/t8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CEXSBGJGMYSPOS-MRVPVSSYSA-N