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2-[(3,4-Dimethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

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

2-[(3,4-Dimethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SpectraBase Compound ID 3bvX2RqFfY1
InChI InChI=1S/C16H21NO5/c1-21-13-8-7-10(9-14(13)22-2)17-15(18)11-5-3-4-6-12(11)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKey JMEMTZYJXZKPRO-UHFFFAOYSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FazAch4dwDb
Name 2-[(3,4-Dimethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 307.141972775 u
Formula C16H21NO5
InChI InChI=1S/C16H21NO5/c1-21-13-8-7-10(9-14(13)22-2)17-15(18)11-5-3-4-6-12(11)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKey JMEMTZYJXZKPRO-UHFFFAOYSA-N
Molecular Weight 307.346 g/mol
SMILES C(C1C(C(=O)O)CCCC1)(NC=1C=C(OC)C(=CC1)OC)=O