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2(S)-2-Hydroxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-butyn-1-yl (2S)-2-methoxy-2-phenyltrifluoropropanoate

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2(S)-2-Hydroxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-butyn-1-yl (2S)-2-methoxy-2-phenyltrifluoropropanoate
SpectraBase Compound ID J6FtzAbRjXX
InChI InChI=1S/C19H21F3O6/c1-5-17(24,14-11-27-16(2,3)28-14)12-26-15(23)18(25-4,19(20,21)22)13-9-7-6-8-10-13/h1,6-10,14,24H,11-12H2,2-4H3/t14-,17+,18?/m1/s1
InChIKey BFXYPIFLJWDLLL-NAVMLSPISA-N
Mol Weight 402.37 g/mol
Molecular Formula C19H21F3O6
Exact Mass 402.129023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6E4PSZmVmPO
Name 2(S)-2-Hydroxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-butyn-1-yl (2S)-2-methoxy-2-phenyltrifluoropropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.129022879 u
Formula C19H21F3O6
InChI InChI=1S/C19H21F3O6/c1-5-17(24,14-11-27-16(2,3)28-14)12-26-15(23)18(25-4,19(20,21)22)13-9-7-6-8-10-13/h1,6-10,14,24H,11-12H2,2-4H3/t14-,17+,18?/m1/s1
InChIKey BFXYPIFLJWDLLL-NAVMLSPISA-N
Molecular Weight 402.366 g/mol
SMILES C(C(F)(F)F)(C(OC[C@]([C@@]1(OC(C)(C)OC1)[H])(C#C)O)=O)(C=1C=CC=CC1)OC