Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H13NO
Datos Químicos de C7H13NO
ID
59092
Molecular Scaffold
gKY@DDfVj@@
Molecular Formula
C7H13NO
Elemental Composition %
C: 31.8181818181818%
H: 59.0909090909091%
O: 4.54545454545455%
N: 4.54545454545455%
Weight
127.186
Programa de Cálculo
G16
SMILES
CC(C)[C@@H]([C@@H](C)N1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H13NO/c1-4(2)6-5(3)8-7(6)9/h4-6H,1-3H3,(H,8,9)/t5-,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UUYMZYHYRDJOKI-NTSWFWBYSA-N