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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 Bezi5eoVjkz
Name (2R,3S,3aR)-2-[(E)-prop-1-enyl]-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylic acid methyl ester
CAS Registry Number 121097-74-3
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
Molecular Weight 225.288 g/mol
SMILES [C@]1(ON2[C@@]([C@@]1(C(=O)OC)[H])(CCCC2)[H])(\C=C\C)[H]
SPLASH splash10-0f6w-9020000000-6119d4f5d1b470738b4d
Source of Spectrum K-122-1703-7
Synonyms Methyl (2R,3S,3aR)-2-[(E)-prop-1-enyl]-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate Methyl (2R,3S,3aR)-2-[(E)-prop-1-enyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-3-carboxylate
Wiley ID 1226409