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(2R,5R,6S)-2-(Tert-butyl)-5-(N,N'-bis(benzyloxycarbonyl)hydrazino)-6-trifluoromethyl-1,3-dioxan-4-one
SpectraBase Compound ID cNHsgJNSol
InChI InChI=1S/C25H27F3N2O7/c1-24(2,3)21-36-19(25(26,27)28)18(20(31)37-21)30(23(33)35-15-17-12-8-5-9-13-17)29-22(32)34-14-16-10-6-4-7-11-16/h4-13,18-19,21H,14-15H2,1-3H3,(H,29,32)/t18-,19+,21-/m1/s1
InChIKey QRVBDUCCKUYGJJ-SVFBPWRDSA-N
Mol Weight 524.49 g/mol
Molecular Formula C25H27F3N2O7
Exact Mass 524.177036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrtR5HRfy42
Name (2R,5R,6S)-2-(Tert-butyl)-5-(N,N'-bis(benzyloxycarbonyl)hydrazino)-6-trifluoromethyl-1,3-dioxan-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.177035699 u
Formula C25H27F3N2O7
InChI InChI=1S/C25H27F3N2O7/c1-24(2,3)21-36-19(25(26,27)28)18(20(31)37-21)30(23(33)35-15-17-12-8-5-9-13-17)29-22(32)34-14-16-10-6-4-7-11-16/h4-13,18-19,21H,14-15H2,1-3H3,(H,29,32)/t18-,19+,21-/m1/s1
InChIKey QRVBDUCCKUYGJJ-SVFBPWRDSA-N
Molecular Weight 524.493 g/mol
SMILES [C@@]1([C@](C(=O)O[C@@](O1)(C(C)(C)C)[H])(N(C(OCC=1C=CC=CC1)=O)NC(=O)OCC1=CC=CC=C1)[H])(C(F)(F)F)[H]