Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H20
Datos Químicos de C9H20
ID
100930
Molecular Formula
C9H20
Elemental Composition %
C: 31.0344827586207%
H: 68.9655172413793%
O: 0%
N: 0%
Weight
128.258
Programa de Cálculo
G16
SMILES
CC[C@@H](C)C(CC)CC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H20/c1-5-8(4)9(6-2)7-3/h8-9H,5-7H2,1-4H3/t8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OKCRKWVABWILDR-MRVPVSSYSA-N