Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H16
Datos Químicos de C9H16
ID
76543
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
C[C@H]([C@@H]1C)[C@]11[C@H](C)CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H16/c1-6-4-5-9(6)7(2)8(9)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VJPIJMJQNIKEBP-LURQLKTLSA-N