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.alpha.-Hydroxyalprazolam, trifluoroacetate

View entire compound with spectra: 1 NMR

.alpha.-Hydroxyalprazolam, trifluoroacetate
SpectraBase Compound ID 4bPLHFgva4j
InChI InChI=1S/C19H12ClF3N4O2/c20-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)24-9-15-25-26-16(27(14)15)10-29-18(28)19(21,22)23/h1-8H,9-10H2
InChIKey IDVTYMZRRZCVKG-UHFFFAOYSA-N
Mol Weight 420.78 g/mol
Molecular Formula C19H12ClF3N4O2
Exact Mass 420.060088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H47bgrgAmBU
Name .alpha.-Hydroxyalprazolam, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 420.060087829 u
Formula C19H12ClF3N4O2
InChI InChI=1S/C19H12ClF3N4O2/c20-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)24-9-15-25-26-16(27(14)15)10-29-18(28)19(21,22)23/h1-8H,9-10H2
InChIKey IDVTYMZRRZCVKG-UHFFFAOYSA-N
Molecular Weight 420.779 g/mol
SMILES C1=CC=C(C=C1)C1=NCC2=NN=C(N2C2=C1C=C(C=C2)Cl)COC(C(F)(F)F)=O