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Methyl (2R,3R,3aS)-2-(2-methyl-1-oxopropyl)hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
SpectraBase Compound ID 8QEBcopqavb
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+/m0/s1
InChIKey CGDHNURTKZXRMR-HOSYDEDBSA-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 4IUuRzwUuL0
Name Methyl (2R,3R,3aS)-2-(2-methyl-1-oxopropyl)hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Alternate Name(s) Methyl (2R,3R,3aS)-2-isobutyrylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate Methyl (2RS,3RS,3aSR)-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+/m0/s1
InChIKey CGDHNURTKZXRMR-HOSYDEDBSA-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 splash10-0005-9300000000-99ec126088ad8564559f
Source of Spectrum F-54-10869-16
Wiley ID 808586