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.alpha.-Hydroxyalprazolam, trimethylsilyl ether
SpectraBase Compound ID 1dMh5d3ujRN
InChI InChI=1S/C20H21ClN4OSi/c1-27(2,3)26-13-19-24-23-18-12-22-20(14-7-5-4-6-8-14)16-11-15(21)9-10-17(16)25(18)19/h4-11H,12-13H2,1-3H3
InChIKey NTTFKPLXWSKOKM-UHFFFAOYSA-N
Mol Weight 396.95 g/mol
Molecular Formula C20H21ClN4OSi
Exact Mass 396.117316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hIiEDBOr6u
Name .alpha.-Hydroxyalprazolam, trimethylsilyl ether
Comments Computed using HOSE algorithm
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Exact Mass 396.117315546 u
Formula C20H21ClN4OSi
InChI InChI=1S/C20H21ClN4OSi/c1-27(2,3)26-13-19-24-23-18-12-22-20(14-7-5-4-6-8-14)16-11-15(21)9-10-17(16)25(18)19/h4-11H,12-13H2,1-3H3
InChIKey NTTFKPLXWSKOKM-UHFFFAOYSA-N
Molecular Weight 396.953 g/mol
SMILES C1=CC=C(C=C1)C1=NCC2=NN=C(N2C2=C1C=C(C=C2)Cl)CO[Si](C)(C)C