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(1S,2R)-Methyl cis-2-(N-Propylcarbonyl)aminocycloheptanecarboxylate
SpectraBase Compound ID EixL27JnSkr
InChI InChI=1S/C13H23NO3/c1-3-7-12(15)14-11-9-6-4-5-8-10(11)13(16)17-2/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-,11+/m0/s1
InChIKey GTDLFFNEHWKGAQ-WDEREUQCSA-N
Mol Weight 241.33 g/mol
Molecular Formula C13H23NO3
Exact Mass 241.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbNgIIqbuDy
Name (1S,2R)-Methyl cis-2-(N-Propylcarbonyl)aminocycloheptanecarboxylate
Alternate Name(s) Methyl (1S,2R)-2-(butyrylamino)cycloheptanecarboxylate
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Formula C13H23NO3
InChI InChI=1S/C13H23NO3/c1-3-7-12(15)14-11-9-6-4-5-8-10(11)13(16)17-2/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-,11+/m0/s1
InChIKey GTDLFFNEHWKGAQ-WDEREUQCSA-N
Molecular Weight 241.331 g/mol
SMILES N([C@]1([C@@](C(=O)OC)(CCCCC1)[H])[H])C(=O)CCC
SPLASH splash10-022a-2910000000-0c5625d3060f1449447d
Source of Spectrum KD-14-3811-2
Wiley ID 1636543