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Methyl (2R,3R,3aR)-2-[(1R)-3-(benzyloxy)-1-hydroxypropyl]hexahydropyrrolo[1,2-b]isoxazole-3-carboxylate

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Methyl (2R,3R,3aR)-2-[(1R)-3-(benzyloxy)-1-hydroxypropyl]hexahydropyrrolo[1,2-b]isoxazole-3-carboxylate
SpectraBase Compound ID 93Jp0fvrVom
InChI InChI=1S/C18H25NO5/c1-22-18(21)16-14-8-5-10-19(14)24-17(16)15(20)9-11-23-12-13-6-3-2-4-7-13/h2-4,6-7,14-17,20H,5,8-12H2,1H3/t14-,15-,16-,17+/m1/s1
InChIKey VZOCUPRDGXVKAQ-VQHPVUNQSA-N
Mol Weight 335.4 g/mol
Molecular Formula C18H25NO5
Exact Mass 335.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BA3TgvPeXQ
Name Methyl (2R,3R,3ar)-2-[(1R)-3-(benzyloxy)-1-hydroxypropyl]hexahydropyrrolo[1,2-B]isoxazole-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.173272904 u
Formula C18H25NO5
InChI InChI=1S/C18H25NO5/c1-22-18(21)16-14-8-5-10-19(14)24-17(16)15(20)9-11-23-12-13-6-3-2-4-7-13/h2-4,6-7,14-17,20H,5,8-12H2,1H3/t14-,15-,16-,17+/m1/s1
InChIKey VZOCUPRDGXVKAQ-VQHPVUNQSA-N
Molecular Weight 335.400 g/mol
SMILES [C@]1([C@@]([C@]2(CCCN2O1)[H])(C(=O)OC)[H])([C@@](CCOCC=1C=CC=CC1)(O)[H])[H]