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(2R,7S)-7-acetamido-8-keto-azocane-2-carboxylic acid methyl ester
SpectraBase Compound ID FPGAlcOAHzh
InChI InChI=1S/C11H18N2O4/c1-7(14)12-8-5-3-4-6-9(11(16)17-2)13-10(8)15/h8-9H,3-6H2,1-2H3,(H,12,14)(H,13,15)/t8-,9+/m0/s1
InChIKey DMERYQJWJUARQM-DTWKUNHWSA-N
Mol Weight 242.27 g/mol
Molecular Formula C11H18N2O4
Exact Mass 242.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHVLNGKlNpi
Name (2R,7S)-7-acetamido-8-keto-azocane-2-carboxylic acid methyl ester
Alternate Name(s) (2R,7S)-7-acetamido-8-oxo-2-azocanecarboxylic acid methyl ester Methyl (2R,7S)-7-acetamido-8-oxidanylidene-azocane-2-carboxylate Methyl (2R,7S)-7-acetamido-8-oxo-azocane-2-carboxylate
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Formula C11H18N2O4
InChI InChI=1S/C11H18N2O4/c1-7(14)12-8-5-3-4-6-9(11(16)17-2)13-10(8)15/h8-9H,3-6H2,1-2H3,(H,12,14)(H,13,15)/t8-,9+/m0/s1
InChIKey DMERYQJWJUARQM-DTWKUNHWSA-N
Molecular Weight 242.275 g/mol
SMILES N1[C@](CCCC[C@](NC(=O)C)(C1=O)[H])(C(=O)OC)[H]
SPLASH splash10-0007-9000000000-ef785700d4b8fc97e981
Source of Spectrum KC-0-2966-19
Wiley ID 831568