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2-(2-Bromo-4-methyl-phenylcarbamoyl)-cyclohexanecarboxylic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(2-Bromo-4-methyl-phenylcarbamoyl)-cyclohexanecarboxylic acid
SpectraBase Compound ID AlTyVH2XBiB
InChI InChI=1S/C15H18BrNO3/c1-9-6-7-13(12(16)8-9)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKey OQGQWGTZRYVECK-UHFFFAOYSA-N
Mol Weight 340.22 g/mol
Molecular Formula C15H18BrNO3
Exact Mass 339.047006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69fgnTaJPVN
Name 2-(2-Bromo-4-methyl-phenylcarbamoyl)-cyclohexanecarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 339.047006441 u
Formula C15H18BrNO3
InChI InChI=1S/C15H18BrNO3/c1-9-6-7-13(12(16)8-9)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKey OQGQWGTZRYVECK-UHFFFAOYSA-N
Molecular Weight 340.217 g/mol
SMILES C1=CC(=CC(=C1NC(=O)C1C(C(O)=O)CCCC1)Br)C