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2-[(2,3-Dimethylquinoxalin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
SpectraBase Compound ID 5aBziZ2z0rn
InChI InChI=1S/C18H21N3O3/c1-10-11(2)20-16-9-12(7-8-15(16)19-10)21-17(22)13-5-3-4-6-14(13)18(23)24/h7-9,13-14H,3-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKey RJMREODRLBVJHL-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C18H21N3O3
Exact Mass 327.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPmGtRQaX7E
Name 2-[(2,3-Dimethylquinoxalin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 327.158291545 u
Formula C18H21N3O3
InChI InChI=1S/C18H21N3O3/c1-10-11(2)20-16-9-12(7-8-15(16)19-10)21-17(22)13-5-3-4-6-14(13)18(23)24/h7-9,13-14H,3-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKey RJMREODRLBVJHL-UHFFFAOYSA-N
Molecular Weight 327.384 g/mol
SMILES C1CCC(C(=O)NC2=CC=C3C(=C2)N=C(C(=N3)C)C)C(C1)C(O)=O