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4-Heptylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

4-Heptylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID EG2BBsFeeHZ
InChI InChI=1S/C18H21F7O2/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)15(26)27-12-16(19,20)17(21,22)18(23,24)25/h8-11H,2-7,12H2,1H3
InChIKey BAKMQAKSSGSRPG-UHFFFAOYSA-N
Mol Weight 402.35 g/mol
Molecular Formula C18H21F7O2
Exact Mass 402.142977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Z2YfZlJSpg
Name 4-Heptylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.142977055 u
Formula C18H21F7O2
InChI InChI=1S/C18H21F7O2/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)15(26)27-12-16(19,20)17(21,22)18(23,24)25/h8-11H,2-7,12H2,1H3
InChIKey BAKMQAKSSGSRPG-UHFFFAOYSA-N
Molecular Weight 402.353 g/mol
SMILES C1=CC(=CC=C1C(=O)OCC(C(C(F)(F)F)(F)F)(F)F)CCCCCCC