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2.beta.-Ethoxycarbonyl-1.beta.,2.alpha.-dimethyl-4.alpha.-methoxycarbonyl-1.alpha.-(2-pyridyl)cyclobutane
SpectraBase Compound ID 83d3xNWx8FV
InChI InChI=1S/C16H21NO4/c1-5-21-14(19)15(2)10-11(13(18)20-4)16(15,3)12-8-6-7-9-17-12/h6-9,11H,5,10H2,1-4H3/t11-,15-,16-/m1/s1
InChIKey BZVRANRDANTDSR-HFBAOOFYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJj7yQbkP6y
Name 2.beta.-Ethoxycarbonyl-1.beta.,2.alpha.-dimethyl-4.alpha.-methoxycarbonyl-1.alpha.-(2-pyridyl)cyclobutane
Alternate Name(s) 1-Ethyl 3-methyl (1S,2S,3S)-1,2-dimethyl-2-(2-pyridinyl)-1,3-cyclobutanedicarboxylate
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Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-5-21-14(19)15(2)10-11(13(18)20-4)16(15,3)12-8-6-7-9-17-12/h6-9,11H,5,10H2,1-4H3/t11-,15-,16-/m1/s1
InChIKey BZVRANRDANTDSR-HFBAOOFYSA-N
Molecular Weight 291.347 g/mol
SMILES [C@@]1([C@](c2ncccc2)(C)[C@](C1)(C(=O)OC)[H])(C(=O)OCC)C
SPLASH splash10-00lr-0960000000-9016140fef6410ce3bc2
Source of Spectrum H1-35-860-5
Wiley ID 755042