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4-(1-Indanyl)phenol, heptafluorobutyrate

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

4-(1-Indanyl)phenol, heptafluorobutyrate
SpectraBase Compound ID EfH9XmmA1sS
InChI InChI=1S/C19H13F7O2/c20-17(21,18(22,23)19(24,25)26)16(27)28-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9,15H,7,10H2
InChIKey IWUWESVIMMPKFK-UHFFFAOYSA-N
Mol Weight 406.3 g/mol
Molecular Formula C19H13F7O2
Exact Mass 406.080377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55oxGX83Jbv
Name 4-(1-Indanyl)phenol, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 406.080376798 u
Formula C19H13F7O2
InChI InChI=1S/C19H13F7O2/c20-17(21,18(22,23)19(24,25)26)16(27)28-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9,15H,7,10H2
InChIKey IWUWESVIMMPKFK-UHFFFAOYSA-N
Molecular Weight 406.300 g/mol
SMILES C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C(C=C1)C1CCC2=C1C=CC=C2