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(2R,3R,3aR)-3-(2-methyl-1-oxopropyl)-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester
SpectraBase Compound ID 6Kl3OkcZ9li
InChI InChI=1S/C13H21NO4/c1-8(2)11(15)10-9-6-4-5-7-14(9)18-12(10)13(16)17-3/h8-10,12H,4-7H2,1-3H3/t9-,10+,12-/m1/s1
InChIKey RBXNVTQMXFQJLR-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 I5D7JniSail
Name (2R,3R,3aR)-3-(2-methyl-1-oxopropyl)-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester
Alternate Name(s) (2R,3R,3aR)-3-isobutyryl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester Methyl (2R,3R,3aR)-3-(2-methylpropanoyl)-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate Methyl (2R,3R,3aR)-3-(2-methylpropanoyl)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate
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Formula C13H21NO4
InChI InChI=1S/C13H21NO4/c1-8(2)11(15)10-9-6-4-5-7-14(9)18-12(10)13(16)17-3/h8-10,12H,4-7H2,1-3H3/t9-,10+,12-/m1/s1
InChIKey RBXNVTQMXFQJLR-JFGNBEQYSA-N
Molecular Weight 255.314 g/mol
SMILES [C@]1([C@@]([C@]2(CCCCN2O1)[H])(C(=O)C(C)C)[H])(C(=O)OC)[H]
SPLASH splash10-059x-9310000000-57d7caa16368b9c02a28
Source of Spectrum F-54-10870-16
Wiley ID 808585