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(2S,3R,3aR,4S)-2-(2-hydroxyethyl)-4-[(2-methylpropan-2-yl)oxy]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3R,3aR,4S)-2-(2-hydroxyethyl)-4-[(2-methylpropan-2-yl)oxy]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3-carboxylic acid methyl ester
SpectraBase Compound ID 8WEBNWSLqzQ
InChI InChI=1S/C14H25NO5/c1-14(2,3)19-10-5-7-15-12(10)11(13(17)18-4)9(20-15)6-8-16/h9-12,16H,5-8H2,1-4H3/t9-,10-,11-,12-/m0/s1
InChIKey XXUSZUJKLJQCJJ-BJDJZHNGSA-N
Mol Weight 287.36 g/mol
Molecular Formula C14H25NO5
Exact Mass 287.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AF5C4oIJQ8y
Name (2S,3R,3aR,4S)-2-(2-hydroxyethyl)-4-[(2-methylpropan-2-yl)oxy]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3-carboxylic acid methyl ester
Alternate Name(s) (2S,3R,3aR,4S)-4-tert-butoxy-2-(2-hydroxyethyl)-2,3,3a,4,5,6-hexahydropyrrol[1,2-b]isoxazole-3-carboxylic acid methyl ester Methyl (2S,3R,3aR,4S)-2-(2-hydroxyethyl)-4-[(2-methylpropan-2-yl)oxy]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate Methyl (2S,3R,3aR,4S)-4-tert-Butoxy-2-(2-hydroxyethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3-carboxylate
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Formula C14H25NO5
InChI InChI=1S/C14H25NO5/c1-14(2,3)19-10-5-7-15-12(10)11(13(17)18-4)9(20-15)6-8-16/h9-12,16H,5-8H2,1-4H3/t9-,10-,11-,12-/m0/s1
InChIKey XXUSZUJKLJQCJJ-BJDJZHNGSA-N
Molecular Weight 287.356 g/mol
SMILES OCC[C@@]1(ON2[C@]([C@]1(C(=O)OC)[H])([C@@](OC(C)(C)C)(CC2)[H])[H])[H]
SPLASH splash10-053r-9010000000-76be8877aeda208e62b5
Source of Spectrum U1-2002-1950-29
Wiley ID 1522598