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Cyclohex-2-enone, 2-acetyl-3-[(1H-benzoimidazol-2-ylmethyl)amino]-5,5-dimethyl-
SpectraBase Compound ID AToUSfBW6Yz
InChI InChI=1S/C18H21N3O2/c1-11(22)17-14(8-18(2,3)9-15(17)23)19-10-16-20-12-6-4-5-7-13(12)21-16/h4-7,19H,8-10H2,1-3H3,(H,20,21)
InChIKey GIICUIROCRKTQC-UHFFFAOYSA-N
Mol Weight 311.39 g/mol
Molecular Formula C18H21N3O2
Exact Mass 311.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EeVJFvDo0L4
Name Cyclohex-2-enone, 2-acetyl-3-[(1H-benzoimidazol-2-ylmethyl)amino]-5,5-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 311.163376926 u
Formula C18H21N3O2
InChI InChI=1S/C18H21N3O2/c1-11(22)17-14(8-18(2,3)9-15(17)23)19-10-16-20-12-6-4-5-7-13(12)21-16/h4-7,19H,8-10H2,1-3H3,(H,20,21)
InChIKey GIICUIROCRKTQC-UHFFFAOYSA-N
Molecular Weight 311.385 g/mol
SMILES C1C(CC(=C(C1=O)C(C)=O)NCC1=NC=2C=CC=CC2N1)(C)C