Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H14
Datos Químicos de C9H14
ID
110558
Molecular Scaffold
dfD@@DjYBRlJjjlaIB`@
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@H]1[C@@H]2[C@]3(C)[C@H]1[C@H]2C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-3-5-7-6-4-9(7,2)8(5)6/h5-8H,3-4H2,1-2H3/t5-,6+,7+,8-,9-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FAOCVMJCTPPMST-WCNIORAXSA-N