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Methyl (2RS,3RS,3aRS)-2-[(1SR)-1,2-Dihydroxyethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
SpectraBase Compound ID 7b8Q9ktAkUL
InChI InChI=1S/C11H19NO5/c1-16-11(15)9-7-4-2-3-5-12(7)17-10(9)8(14)6-13/h7-10,13-14H,2-6H2,1H3
InChIKey IDUCUTFOEPLFJN-UHFFFAOYSA-N
Mol Weight 245.27 g/mol
Molecular Formula C11H19NO5
Exact Mass 245.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA5cCwI3q0B
Name Methyl (2RS,3RS,3aRS)-2-[(1SR)-1,2-Dihydroxyethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Alternate Name(s) Methyl (2RS,3RS,3aRS)-2-[(1SR)-1,2-Dihydroxyethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate endo-anti isomer Methyl (2RS,3RS,3aRS)-2-[(1SR)-1,2-Dihydroxyethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate endo-syn-isomer methyl 2-(1,2-dihydroxyethyl)hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C11H19NO5
InChI InChI=1S/C11H19NO5/c1-16-11(15)9-7-4-2-3-5-12(7)17-10(9)8(14)6-13/h7-10,13-14H,2-6H2,1H3
InChIKey IDUCUTFOEPLFJN-UHFFFAOYSA-N
Molecular Weight 245.275 g/mol
SMILES OC(CO)C1C(C2CCCCN2O1)C(=O)OC
SPLASH splash10-0udj-7910000000-a46da3096b85f3006f07
Source of Spectrum J-61-8583-18
Wiley ID 1247838