Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H14
Datos Químicos de C9H14
ID
92608
Molecular Scaffold
dad@@DjVRinZjjaH@
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(CCC2)[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-7-5-8-3-2-4-9(8)6-7/h5,7,9H,2-4,6H2,1H3/t7-,9+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ICTGNSYKWCTSQN-IONNQARKSA-N