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Benzamide, N-[2-(acetyloxy)cyclohexyl]-, cis-(.+-.)-
SpectraBase Compound ID GRb7Dqv63Pb
InChI InChI=1S/C15H19NO3/c1-11(17)19-14-10-6-5-9-13(14)16-15(18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,16,18)/t13-,14+/m1/s1
InChIKey PGMRTUNAUPJJQK-KGLIPLIRSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5l3J0glizf6
Name Benzamide, N-[2-(acetyloxy)cyclohexyl]-, cis-(.+-.)-
Comments Computed using HOSE algorithm
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Exact Mass 261.136493473 u
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-11(17)19-14-10-6-5-9-13(14)16-15(18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,16,18)/t13-,14+/m1/s1
InChIKey PGMRTUNAUPJJQK-KGLIPLIRSA-N
Molecular Weight 261.321 g/mol
SMILES C(N[C@]1([C@@](OC(=O)C)(CCCC1)[H])[H])(=O)C=1C=CC=CC1