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(5R,5aS,10aR,10bR)-5-Acetoxyoctahydrooxepino[3,4-d]isoxazol[1,2-b]pyrrolo-1(3H)-one

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(5R,5aS,10aR,10bR)-5-Acetoxyoctahydrooxepino[3,4-d]isoxazol[1,2-b]pyrrolo-1(3H)-one
SpectraBase Compound ID 9NVn3pCP6TF
InChI InChI=1S/C12H17NO5/c1-7(14)17-9-4-6-16-12(15)10-8-3-2-5-13(8)18-11(9)10/h8-11H,2-6H2,1H3/t8-,9-,10-,11-/m1/s1
InChIKey AUHACQRZNXDPSR-GWOFURMSSA-N
Mol Weight 255.27 g/mol
Molecular Formula C12H17NO5
Exact Mass 255.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yJ9O14DaHB
Name (5R,5as,10Ar,10BR)-5-acetoxyoctahydrooxepino[3,4-D]isoxazol[1,2-B]pyrrolo-1(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.110672646 u
Formula C12H17NO5
InChI InChI=1S/C12H17NO5/c1-7(14)17-9-4-6-16-12(15)10-8-3-2-5-13(8)18-11(9)10/h8-11H,2-6H2,1H3/t8-,9-,10-,11-/m1/s1
InChIKey AUHACQRZNXDPSR-GWOFURMSSA-N
Molecular Weight 255.270 g/mol
SMILES [C@@]12([C@@]([C@]3(CCCN3O2)[H])(C(OCC[C@]1(OC(=O)C)[H])=O)[H])[H]