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3-Benzamidocoumarin, N-heptafluorobutyryl-

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

3-Benzamidocoumarin, N-heptafluorobutyryl-
SpectraBase Compound ID DUWWeemueGk
InChI InChI=1S/C20H10F7NO4/c21-18(22,19(23,24)20(25,26)27)17(31)28(15(29)11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)32-16(13)30/h1-10H
InChIKey JZBGBYITQPRKNN-UHFFFAOYSA-N
Mol Weight 461.29 g/mol
Molecular Formula C20H10F7NO4
Exact Mass 461.049805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1l4pxSr5Bv
Name 3-Benzamidocoumarin, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 461.049804943 u
Formula C20H10F7NO4
InChI InChI=1S/C20H10F7NO4/c21-18(22,19(23,24)20(25,26)27)17(31)28(15(29)11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)32-16(13)30/h1-10H
InChIKey JZBGBYITQPRKNN-UHFFFAOYSA-N
Molecular Weight 461.292 g/mol
SMILES C1(=CC=CC=C1)C(=O)N(C=1C(OC=2C(C1)=CC=CC2)=O)C(=O)C(C(C(F)(F)F)(F)F)(F)F