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N-Desalkyl-N-propyl-3-hydroxyflurazepam, propionate

View entire compound with spectra: 1 NMR

N-Desalkyl-N-propyl-3-hydroxyflurazepam, propionate
SpectraBase Compound ID 1PboFJLOknr
InChI InChI=1S/C21H20ClFN2O3/c1-3-11-25-17-10-9-13(22)12-15(17)19(14-7-5-6-8-16(14)23)24-20(21(25)27)28-18(26)4-2/h5-10,12,20H,3-4,11H2,1-2H3
InChIKey KTKVYLMFDQEAFW-UHFFFAOYSA-N
Mol Weight 402.85 g/mol
Molecular Formula C21H20ClFN2O3
Exact Mass 402.114648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HuXXE3cHHFy
Name N-Desalkyl-N-propyl-3-hydroxyflurazepam, propionate
Comments Computed using HOSE algorithm
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Exact Mass 402.114648372 u
Formula C21H20ClFN2O3
InChI InChI=1S/C21H20ClFN2O3/c1-3-11-25-17-10-9-13(22)12-15(17)19(14-7-5-6-8-16(14)23)24-20(21(25)27)28-18(26)4-2/h5-10,12,20H,3-4,11H2,1-2H3
InChIKey KTKVYLMFDQEAFW-UHFFFAOYSA-N
Molecular Weight 402.853 g/mol
SMILES C1(C=2C3=CC(=CC=C3N(C(C(N2)OC(=O)CC)=O)CCC)Cl)=C(C=CC=C1)F