Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H14
Datos Químicos de C9H14
ID
58932
Molecular Scaffold
dfD@@DjYBrbjjjlBPj`@
Molecular Formula
C9H14
Elemental Composition %
C: 39.1304347826087%
H: 60.8695652173913%
O: 0%
N: 0%
Weight
122.21
Programa de Cálculo
G16
SMILES
CC(C)[C@@]1([C@@H]2C3)[C@H]2[C@H]3C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-5(2)9-4-6-3-7(9)8(6)9/h5-8H,3-4H2,1-2H3/t6-,7+,8-,9+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VOUYTTBIRJXBNQ-XAVMHZPKSA-N