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Methyl (2R,3S,3aR)-2-(2-methyl-1-oxopropyl)hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
SpectraBase Compound ID A8QheI3heBi
InChI InChI=1S/C13H21NO4/c1-8(2)11(15)12-10(13(16)17-3)9-6-4-5-7-14(9)18-12/h8-10,12H,4-7H2,1-3H3/t9-,10+,12-/m1/s1
InChIKey CGDHNURTKZXRMR-JFGNBEQYSA-N
Mol Weight 255.31 g/mol
Molecular Formula C13H21NO4
Exact Mass 255.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2GH0Mv1GS2
Name Methyl (2R,3S,3aR)-2-(2-methyl-1-oxopropyl)hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Alternate Name(s) Methyl (2R,3S,3aR)-2-isobutyrylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate Methyl (2RS,3RS,3aRS)-2-(2-methyl-1-oxopropyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
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Formula C13H21NO4
InChI InChI=1S/C13H21NO4/c1-8(2)11(15)12-10(13(16)17-3)9-6-4-5-7-14(9)18-12/h8-10,12H,4-7H2,1-3H3/t9-,10+,12-/m1/s1
InChIKey CGDHNURTKZXRMR-JFGNBEQYSA-N
Molecular Weight 255.314 g/mol
SMILES [C@]1([C@]([C@]2(CCCCN2O1)[H])(C(=O)OC)[H])(C(=O)C(C)C)[H]
SPLASH splash10-006x-9510000000-46b7ed3b1ec66f0e474a
Source of Spectrum F-54-10869-16
Wiley ID 808587