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(2R,3R)-2,3-Dihydroxybutanedioic acid, dimethyl ester, bis(heptafluorobutyrate)

View entire compound with spectra: 1 NMR, and 1 FTIR

(2R,3R)-2,3-Dihydroxybutanedioic acid, dimethyl ester, bis(heptafluorobutyrate)
SpectraBase Compound ID Bb2W6qc3jKB
InChI InChI=1S/C14H8F14O8/c1-33-5(29)3(35-7(31)9(15,16)11(19,20)13(23,24)25)4(6(30)34-2)36-8(32)10(17,18)12(21,22)14(26,27)28/h3-4H,1-2H3
InChIKey MCUNENIYJDVHNJ-UHFFFAOYSA-N
Mol Weight 570.19 g/mol
Molecular Formula C14H8F14O8
Exact Mass 569.999561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSLZJbg2nKf
Name (2R,3R)-2,3-Dihydroxybutanedioic acid, dimethyl ester, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 569.999561492 u
Formula C14H8F14O8
InChI InChI=1S/C14H8F14O8/c1-33-5(29)3(35-7(31)9(15,16)11(19,20)13(23,24)25)4(6(30)34-2)36-8(32)10(17,18)12(21,22)14(26,27)28/h3-4H,1-2H3
InChIKey MCUNENIYJDVHNJ-UHFFFAOYSA-N
Molecular Weight 570.188 g/mol
SMILES C(C(C(OC)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)(C(OC)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F