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(1S,2R)-Methyl cis-2-(N-Propylcarbonyl)aminocyclododecanecarboxylate
SpectraBase Compound ID GzmExpHemcf
InChI InChI=1S/C18H33NO3/c1-3-12-17(20)19-16-14-11-9-7-5-4-6-8-10-13-15(16)18(21)22-2/h15-16H,3-14H2,1-2H3,(H,19,20)/t15-,16+/m0/s1
InChIKey JWIGIMDHAKELOC-JKSUJKDBSA-N
Mol Weight 311.5 g/mol
Molecular Formula C18H33NO3
Exact Mass 311.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3u7VnJT7uR
Name (1S,2R)-Methyl cis-2-(N-Propylcarbonyl)aminocyclododecanecarboxylate
Alternate Name(s) Methyl (1S,2R)-2-(butyrylamino)cyclododecanecarboxylate
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Formula C18H33NO3
InChI InChI=1S/C18H33NO3/c1-3-12-17(20)19-16-14-11-9-7-5-4-6-8-10-13-15(16)18(21)22-2/h15-16H,3-14H2,1-2H3,(H,19,20)/t15-,16+/m0/s1
InChIKey JWIGIMDHAKELOC-JKSUJKDBSA-N
Molecular Weight 311.466 g/mol
SMILES N([C@]1([C@@](C(=O)OC)(CCCCCCCCCC1)[H])[H])C(=O)CCC
SPLASH splash10-01ox-0391000000-27f285ae67f8e70cb211
Source of Spectrum KD-14-3811-2
Wiley ID 1636541