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1,2-Benzenediol, o-(3-cyclopentylpropionyl)-o'-(pentafluoropropionyl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(3-cyclopentylpropionyl)-o'-(pentafluoropropionyl)-
SpectraBase Compound ID GVjIIfPTzPN
InChI InChI=1S/C17H17F5O4/c18-16(19,17(20,21)22)15(24)26-13-8-4-3-7-12(13)25-14(23)10-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKey GXZGYRMWARSSJT-UHFFFAOYSA-N
Mol Weight 380.31 g/mol
Molecular Formula C17H17F5O4
Exact Mass 380.1047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHtLXGuBhAV
Name 1,2-Benzenediol, o-(3-cyclopentylpropionyl)-o'-(pentafluoropropionyl)-
Comments Computed using HOSE algorithm
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Exact Mass 380.104699838 u
Formula C17H17F5O4
InChI InChI=1S/C17H17F5O4/c18-16(19,17(20,21)22)15(24)26-13-8-4-3-7-12(13)25-14(23)10-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKey GXZGYRMWARSSJT-UHFFFAOYSA-N
Molecular Weight 380.311 g/mol
SMILES C1(=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)OC(=O)CCC1CCCC1