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Cay10487, o,o'-bis(heptafluorobutyryl)-

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Cay10487, o,o'-bis(heptafluorobutyryl)-
SpectraBase Compound ID JAxTlL6MxbQ
InChI InChI=1S/C21H13F14NO7/c1-8(13(38)41-2)36-12(37)6-4-9-3-5-10(42-14(39)16(22,23)18(26,27)20(30,31)32)11(7-9)43-15(40)17(24,25)19(28,29)21(33,34)35/h3-8H,1-2H3,(H,36,37)/b6-4-/t8-/m1/s1
InChIKey DYCLKXYBIDIYRO-RZAAKKIOSA-N
Mol Weight 657.31 g/mol
Molecular Formula C21H13F14NO7
Exact Mass 657.046846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xoe5WStTrB
Name Cay10487, o,o'-bis(heptafluorobutyryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 657.046846038 u
Formula C21H13F14NO7
InChI InChI=1S/C21H13F14NO7/c1-8(13(38)41-2)36-12(37)6-4-9-3-5-10(42-14(39)16(22,23)18(26,27)20(30,31)32)11(7-9)43-15(40)17(24,25)19(28,29)21(33,34)35/h3-8H,1-2H3,(H,36,37)/b6-4-/t8-/m1/s1
InChIKey DYCLKXYBIDIYRO-RZAAKKIOSA-N
Molecular Weight 657.313 g/mol
SMILES COC(=O)[C@@](C)(NC(=O)\C=C/C1=CC=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)[H]