Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H14
Datos Químicos de C9H14
ID
88620
Molecular Scaffold
daT@@DjUhPj[jjjk@TQD@
Molecular Formula
C9H14
Elemental Composition %
C: 39.1304347826087%
H: 60.8695652173913%
O: 0%
N: 0%
Weight
122.21
Programa de Cálculo
G16
SMILES
C[C@@H](C1)[C@@H]1[C@H]1[C@@H]2[C@H]1CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-5-4-8(5)9-6-2-3-7(6)9/h5-9H,2-4H2,1H3/t5-,6-,7+,8-,9+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KSCOUTXGPYIWMH-ZEBDFXRSSA-N