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1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine

View entire compound with spectra: 2 NMR

1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine
SpectraBase Compound ID DtJ5edZXfP4
InChI InChI=1S/C19H15F5N2O3/c20-14-13(15(21)17(23)18(24)16(14)22)19(27)26-5-3-25(4-6-26)8-10-1-2-11-12(7-10)29-9-28-11/h1-2,7H,3-6,8-9H2
InChIKey SSRWFYGZWZONNR-UHFFFAOYSA-N
Mol Weight 414.33 g/mol
Molecular Formula C19H15F5N2O3
Exact Mass 414.100283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGTrcGTFiPX
Name 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 414.100283163 u
Formula C19H15F5N2O3
InChI InChI=1S/C19H15F5N2O3/c20-14-13(15(21)17(23)18(24)16(14)22)19(27)26-5-3-25(4-6-26)8-10-1-2-11-12(7-10)29-9-28-11/h1-2,7H,3-6,8-9H2
InChIKey SSRWFYGZWZONNR-UHFFFAOYSA-N
Molecular Weight 414.332 g/mol
SMILES C(C1=C(C(F)=C(C(=C1F)F)F)F)(=O)N1CCN(CC1)CC1=CC=2OCOC2C=C1