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(2S,3R)-3-[2'-(Ethoxycarbonylmethylene)pyrrolidin-1'-yl]-2-ethylhexanoic acid
SpectraBase Compound ID CpjyNRRRCqi
InChI InChI=1S/C16H27NO4/c1-4-8-14(13(5-2)16(19)20)17-10-7-9-12(17)11-15(18)21-6-3/h11,13-14H,4-10H2,1-3H3,(H,19,20)/b12-11+/t13-,14+/m0/s1
InChIKey HMJZFXMEDBOVER-CYUAOAIUSA-N
Mol Weight 297.39 g/mol
Molecular Formula C16H27NO4
Exact Mass 297.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSL2WSS9wvR
Name (2S,3R)-3-[2'-(Ethoxycarbonylmethylene)pyrrolidin-1'-yl]-2-ethylhexanoic acid
Alternate Name(s) (2S,3R)-3-((E)-2-(2-ethoxy-2-oxoethylidene)pyrrolidin-1-yl)-2-ethylhexanoic acid (2S,3R)-3-[(2E)-2-(2-ethoxy-2-oxoethylidene)-1-pyrrolidinyl]-2-ethylhexanoic acid (2S,3R)-3-[(2E)-2-(2-ethoxy-2-oxoethylidene)pyrrolidin-1-yl]-2-ethylhexanoic acid (2S,3R)-3-[(2E)-2-(2-ethoxy-2-oxo-ethylidene)pyrrolidin-1-yl]-2-ethyl-hexanoic acid (2S,3R)-3-[(2E)-2-(2-ethoxy-2-oxidanylidene-ethylidene)pyrrolidin-1-yl]-2-ethyl-hexanoic acid
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Formula C16H27NO4
InChI InChI=1S/C16H27NO4/c1-4-8-14(13(5-2)16(19)20)17-10-7-9-12(17)11-15(18)21-6-3/h11,13-14H,4-10H2,1-3H3,(H,19,20)/b12-11+/t13-,14+/m0/s1
InChIKey HMJZFXMEDBOVER-CYUAOAIUSA-N
Molecular Weight 297.395 g/mol
SMILES OC([C@]([C@](N1\C(=C\C(=O)OCC)CCC1)(CCC)[H])(CC)[H])=O
SPLASH splash10-03di-1690000000-022c10dc30cf445b54a0
Source of Spectrum F5-3-844-27b
Wiley ID 1732209