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.alpha.-Hydroxytriazolam, trifluoroacetate

View entire compound with spectra: 1 NMR

.alpha.-Hydroxytriazolam, trifluoroacetate
SpectraBase Compound ID AKiiI7NAQyC
InChI InChI=1S/C19H11Cl2F3N4O2/c20-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)21)25-8-15-26-27-16(28(14)15)9-30-18(29)19(22,23)24/h1-7H,8-9H2
InChIKey UJLWDARZKWMAMI-UHFFFAOYSA-N
Mol Weight 455.22 g/mol
Molecular Formula C19H11Cl2F3N4O2
Exact Mass 454.021115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jedm1jsmleh
Name .alpha.-Hydroxytriazolam, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 454.021115497 u
Formula C19H11Cl2F3N4O2
InChI InChI=1S/C19H11Cl2F3N4O2/c20-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)21)25-8-15-26-27-16(28(14)15)9-30-18(29)19(22,23)24/h1-7H,8-9H2
InChIKey UJLWDARZKWMAMI-UHFFFAOYSA-N
Molecular Weight 455.224 g/mol
SMILES C1=CC=C(C(=C1)C1=NCC2=NN=C(N2C2=C1C=C(C=C2)Cl)COC(C(F)(F)F)=O)Cl