Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H14
Datos Químicos de C9H14
ID
84852
Molecular Scaffold
dad@@DiURinZjjPiR@
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=CC[C@@H]2[C@H]1CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-7-3-2-4-8-5-6-9(7)8/h2-3,7-9H,4-6H2,1H3/t7-,8+,9+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WMYUCZIVLFRPEN-DJLDLDEBSA-N