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January 28, 2026
C8H15N
Datos Químicos de C8H15N
ID
103994
Molecular Scaffold
gJx@@eSLcUUA@@
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@]1(C)[C@](C)(C2)N2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H16N/c1-4-7(2)5-9-6-8(7,9)3/h9H,4-6H2,1-3H3/t7-,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HJORSQOYCVNTOJ-YUMQZZPRSA-N