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January 28, 2026
C8H13N
Datos Químicos de C8H13N
ID
70817
Molecular Scaffold
dfF@@@RidIJpjjj@@
Molecular Formula
C8H13N
Elemental Composition %
C: 36.3636363636364%
H: 59.0909090909091%
O: 0%
N: 4.54545454545455%
Weight
123.198
Programa de Cálculo
G16
SMILES
C[C@]1(C2)[C@@]3(C)N2[C@]1(C)C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14N/c1-6-5-9-7(6,2)4-8(6,9)3/h9H,4-5H2,1-3H3/t6-,7-,8+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CSJYCQWWEQCVDS-WHUPJOBBSA-N