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January 28, 2026
C8H15N
Datos Químicos de C8H15N
ID
100643
Molecular Formula
C8H15N
Elemental Composition %
C: 33.3333333333333%
H: 62.5%
O: 0%
N: 4.16666666666667%
Weight
125.214
Programa de Cálculo
G16
SMILES
CC[C@@H](C)C(C)(C)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H15N/c1-5-7(2)8(3,4)6-9/h7H,5H2,1-4H3/t7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OBUNXJYSQKJXSQ-SSDOTTSWSA-N