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January 28, 2026
C6H13NO
Datos Químicos de C6H13NO
ID
6089
Molecular Formula
C6H13NO
Elemental Composition %
C: 28.5714285714286%
H: 61.9047619047619%
O: 4.76190476190476%
N: 4.76190476190476%
Weight
115.175
Programa de Cálculo
G16
SMILES
CC(C)CNC(C)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H13NO/c1-5(2)4-7-6(3)8/h5H,4H2,1-3H3,(H,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VDQMVRFHUYAKJL-UHFFFAOYSA-N