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3,5-di-o-Benzyl-6-deoxy-6-nitro-.beta.,L-idono-1,4-lactone

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3,5-di-o-Benzyl-6-deoxy-6-nitro-.beta.,L-idono-1,4-lactone
SpectraBase Compound ID 2EMYJX6Q3qI
InChI InChI=1S/C20H21NO7/c22-17-19(27-13-15-9-5-2-6-10-15)18(28-20(17)23)16(11-21(24)25)26-12-14-7-3-1-4-8-14/h1-10,16-19,22H,11-13H2/t16-,17+,18+,19+/m0/s1
InChIKey HGFOIHAGXADGPT-WJFTUGDTSA-N
Mol Weight 387.39 g/mol
Molecular Formula C20H21NO7
Exact Mass 387.131802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZxg3n5SSCn
Name 3,5-di-o-Benzyl-6-deoxy-6-nitro-.beta.,L-idono-1,4-lactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.131802013 u
Formula C20H21NO7
InChI InChI=1S/C20H21NO7/c22-17-19(27-13-15-9-5-2-6-10-15)18(28-20(17)23)16(11-21(24)25)26-12-14-7-3-1-4-8-14/h1-10,16-19,22H,11-13H2/t16-,17+,18+,19+/m0/s1
InChIKey HGFOIHAGXADGPT-WJFTUGDTSA-N
Molecular Weight 387.388 g/mol
SMILES [C@]1(OC(=O)[C@@]([C@]1(OCC1=CC=CC=C1)[H])(O)[H])([C@](CN(=O)=O)(OCC1=CC=CC=C1)[H])[H]