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(1R,2E)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(1-pyrrolidinylimino)ethanol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2E)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(1-pyrrolidinylimino)ethanol
SpectraBase Compound ID GlOAC5XTycs
InChI InChI=1S/C20H28N2O5/c1-20(2)26-18-17(24-13-14-8-4-3-5-9-14)16(25-19(18)27-20)15(23)12-21-22-10-6-7-11-22/h3-5,8-9,12,15-19,23H,6-7,10-11,13H2,1-2H3/b21-12+/t15-,16-,17+,18-,19-/m1/s1
InChIKey KVOQOVWDSJBGDO-DFFSQLRMSA-N
Mol Weight 376.45 g/mol
Molecular Formula C20H28N2O5
Exact Mass 376.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gsjox6chent
Name (1R,2E)-1-[(3ar,5R,6S,6ar)-2,2-Dimethyl-6-phenylmethoxy-3A,5,6,6A-tetrahydrofuro[2,3-D][1,3]dioxol-5-yl]-2-(1-pyrrolidinylimino)ethanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.199822005 u
Formula C20H28N2O5
InChI InChI=1S/C20H28N2O5/c1-20(2)26-18-17(24-13-14-8-4-3-5-9-14)16(25-19(18)27-20)15(23)12-21-22-10-6-7-11-22/h3-5,8-9,12,15-19,23H,6-7,10-11,13H2,1-2H3/b21-12+/t15-,16-,17+,18-,19-/m1/s1
InChIKey KVOQOVWDSJBGDO-DFFSQLRMSA-N
Molecular Weight 376.453 g/mol
SMILES [C@]12([C@](O[C@@]([C@@]2(OCC=2C=CC=CC2)[H])([C@@](\C=N\N2CCCC2)(O)[H])[H])(OC(O1)(C)C)[H])[H]