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Methaqualone HFB

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methaqualone HFB
SpectraBase Compound ID 9evbmAH0BDJ
InChI InChI=1S/C20H13F7N2O2/c1-11-6-2-5-9-14(11)29-16(28-13-8-4-3-7-12(13)17(29)31)10-15(30)18(21,22)19(23,24)20(25,26)27/h2-9H,10H2,1H3
InChIKey TZPHKHADHJVEPU-UHFFFAOYSA-N
Mol Weight 446.32 g/mol
Molecular Formula C20H13F7N2O2
Exact Mass 446.086525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3ebAgU9nOn
Name Methaqualone hfb P1572
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.086524806 u
Formula C20H13F7N2O2
InChI InChI=1S/C20H13F7N2O2/c1-11-6-2-5-9-14(11)29-16(28-13-8-4-3-7-12(13)17(29)31)10-15(30)18(21,22)19(23,24)20(25,26)27/h2-9H,10H2,1H3
InChIKey TZPHKHADHJVEPU-UHFFFAOYSA-N
Molecular Weight 446.325 g/mol
SMILES C1=CC=C(N2C(=NC3=CC=CC=C3C2=O)CC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(C)=C1