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1,2-Benzenediol, o-(3-chloropropionyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-

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

1,2-Benzenediol, o-(3-chloropropionyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-
SpectraBase Compound ID 7BkC5XWUVnk
InChI InChI=1S/C13H8ClF7O4/c14-6-5-9(22)24-7-3-1-2-4-8(7)25-10(23)11(15,16)12(17,18)13(19,20)21/h1-4H,5-6H2
InChIKey UZDRYRSYPBAXSX-UHFFFAOYSA-N
Mol Weight 396.64 g/mol
Molecular Formula C13H8ClF7O4
Exact Mass 395.999934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65x5tHh8Tbb
Name 1,2-Benzenediol, o-(3-chloropropionyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.999933575 u
Formula C13H8ClF7O4
InChI InChI=1S/C13H8ClF7O4/c14-6-5-9(22)24-7-3-1-2-4-8(7)25-10(23)11(15,16)12(17,18)13(19,20)21/h1-4H,5-6H2
InChIKey UZDRYRSYPBAXSX-UHFFFAOYSA-N
Molecular Weight 396.645 g/mol
SMILES C1(=CC=CC=C1OC(CCCl)=O)OC(C(F)(C(C(F)(F)F)(F)F)F)=O