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Bisphenol B, bis(heptafluorobutyrate)

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Bisphenol B, bis(heptafluorobutyrate)
SpectraBase Compound ID H1AC97pMbWJ
InChI InChI=1S/C24H16F14O4/c1-3-18(2,12-4-8-14(9-5-12)41-16(39)19(25,26)21(29,30)23(33,34)35)13-6-10-15(11-7-13)42-17(40)20(27,28)22(31,32)24(36,37)38/h4-11H,3H2,1-2H3
InChIKey PWAWIOATXAGZFB-UHFFFAOYSA-N
Mol Weight 634.37 g/mol
Molecular Formula C24H16F14O4
Exact Mass 634.082503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8XZgI3iSC6
Name Bisphenol B, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 634.082503273 u
Formula C24H16F14O4
InChI InChI=1S/C24H16F14O4/c1-3-18(2,12-4-8-14(9-5-12)41-16(39)19(25,26)21(29,30)23(33,34)35)13-6-10-15(11-7-13)42-17(40)20(27,28)22(31,32)24(36,37)38/h4-11H,3H2,1-2H3
InChIKey PWAWIOATXAGZFB-UHFFFAOYSA-N
Molecular Weight 634.366 g/mol
SMILES C(CC)(C)(C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F