Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H14
Datos Químicos de C9H14
ID
92839
Molecular Scaffold
dad@@DjY|injjjPIBABAbX
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]1C[C@H](CC2)[C@@]2[CH]C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H15/c1-7-2-3-8-4-5-9(8)6-7/h3,7-9H,2,4-6H2,1H3/t7-,8+,9-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DCHFNDXRGKFAKZ-YIZRAAEISA-N