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Methyl (2R*,3S*,3aS*)-hexahydro-2-[(1E)-1-propenyl]-2H-isoxazolo[2,3-a]pyridin-3-carboxylate
SpectraBase Compound ID ILl00R8rqJx
InChI InChI=1S/C12H19NO3/c1-3-6-10-11(12(14)15-2)9-7-4-5-8-13(9)16-10/h3,6,9-11H,4-5,7-8H2,1-2H3/b6-3+/t9-,10+,11-/m0/s1
InChIKey RHEBQCLHXRPUSR-SHJRHDGBSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCdQyqro8zg
Name Methyl (2R*,3S*,3aS*)-hexahydro-2-[(1E)-1-propenyl]-2H-isoxazolo[2,3-a]pyridin-3-carboxylate
CAS Registry Number 121155-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-3-6-10-11(12(14)15-2)9-7-4-5-8-13(9)16-10/h3,6,9-11H,4-5,7-8H2,1-2H3/b6-3+/t9-,10+,11-/m0/s1
InChIKey RHEBQCLHXRPUSR-SHJRHDGBSA-N
Molecular Weight 225.288 g/mol
SMILES [C@]1(ON2[C@]([C@@]1(C(=O)OC)[H])(CCCC2)[H])(\C=C\C)[H]
SPLASH splash10-0f6t-9410000000-5f6c16cba2cce4e10ab6
Source of Spectrum K-122-1704-8
Synonyms Methyl (2R,3S,3aS)-2-[(1E)-1-propenyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Wiley ID 1226410