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Methyl (2R*,3S*,3aR*)-Hexahydro-2-[(1E)-1-propenyl]-2H-isoxazolo[2,3-a]pyridin-3-carboxylate
SpectraBase Compound ID BeFkHN9Hub9
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+/m1/s1
InChIKey RHEBQCLHXRPUSR-BCZGSGNNSA-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 FX5XxqjtI5w
Name Methyl (2R*,3S*,3aR*)-Hexahydro-2-[(1E)-1-propenyl]-2H-isoxazolo[2,3-a]pyridin-3-carboxylate
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+/m1/s1
InChIKey RHEBQCLHXRPUSR-BCZGSGNNSA-N
Literature Reference DOI 10.1002/cber.19891220916
Molecular Weight 225.288 g/mol
SMILES C1C[C@]2(N(CC1)O[C@@]([C@]2(C(=O)OC)[H])(\C=C\C)[H])[H]
SPLASH splash10-0f6w-9100000000-4b681742b3250a7160d6
Source of Spectrum K-122-1703-7
Synonyms Methyl (2R,3S,3aR)-2-((E)-prop-1-en-1-yl)hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Wiley ID 1793018