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January 28, 2026
C8H14
Datos Químicos de C8H14
ID
14236
Molecular Scaffold
gGp@DjYGVjjPdP@
Molecular Formula
C8H14
Elemental Composition %
C: 36.3636363636364%
H: 63.6363636363636%
O: 0%
N: 0%
Weight
110.199
Programa de Cálculo
G16
SMILES
C[C@@H](C1)[C@H]2[C@@H]1[C@@H](C)C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14/c1-5-3-8-6(2)4-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IQSHZKFMCASOAZ-NGJRWZKOSA-N