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N-(2-Ethoxycarbonyl-1-cyclohexenyl)-L-isoleucine dimethylamide
SpectraBase Compound ID Iv2GiV8ZVuk
InChI InChI=1S/C17H30N2O3/c1-6-12(3)15(16(20)19(4)5)18-14-11-9-8-10-13(14)17(21)22-7-2/h12,15,18H,6-11H2,1-5H3/t12-,15-/m0/s1
InChIKey IKXSXRCVKRICSC-WFASDCNBSA-N
Mol Weight 310.44 g/mol
Molecular Formula C17H30N2O3
Exact Mass 310.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7xthxupPoq
Name N-(2-Ethoxycarbonyl-1-cyclohexenyl)-L-isoleucine dimethylamide
Alternate Name(s) Ethyl 2-({(1S,2S)-1-[(dimethylamino)carbonyl]-2-methylbutyl}amino)-1-cyclohexene-1-carboxylate
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Formula C17H30N2O3
InChI InChI=1S/C17H30N2O3/c1-6-12(3)15(16(20)19(4)5)18-14-11-9-8-10-13(14)17(21)22-7-2/h12,15,18H,6-11H2,1-5H3/t12-,15-/m0/s1
InChIKey IKXSXRCVKRICSC-WFASDCNBSA-N
Molecular Weight 310.438 g/mol
SMILES N(C1=C(C(=O)OCC)CCCC1)[C@](C(N(C)C)=O)([C@](CC)(C)[H])[H]
SPLASH splash10-000l-7970000000-819b272c55461b27185b
Source of Spectrum QE-7-1021-3
Wiley ID 845359