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.beta.-Carboline, 7-(heptafluorobutyryl)oxy-1-methyl-

View entire compound with spectra: 1 NMR

.beta.-Carboline, 7-(heptafluorobutyryl)oxy-1-methyl-
SpectraBase Compound ID 99L60vTDIyl
InChI InChI=1S/C16H9F7N2O2/c1-7-12-10(4-5-24-7)9-3-2-8(6-11(9)25-12)27-13(26)14(17,18)15(19,20)16(21,22)23/h2-6,25H,1H3
InChIKey RMQHVDOYZDYRDE-UHFFFAOYSA-N
Mol Weight 394.25 g/mol
Molecular Formula C16H9F7N2O2
Exact Mass 394.055225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FG8daBaOan
Name .beta.-Carboline, 7-(heptafluorobutyryl)oxy-1-methyl-
Comments Computed using HOSE algorithm
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Exact Mass 394.055224677 u
Formula C16H9F7N2O2
InChI InChI=1S/C16H9F7N2O2/c1-7-12-10(4-5-24-7)9-3-2-8(6-11(9)25-12)27-13(26)14(17,18)15(19,20)16(21,22)23/h2-6,25H,1H3
InChIKey RMQHVDOYZDYRDE-UHFFFAOYSA-N
Molecular Weight 394.249 g/mol
SMILES C1=2C3=C(C=C(C=C3)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)NC1=C(C)N=CC2