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.alpha.-Hydroxyalprazolam, tert-butyldimethylsilyl ether

View entire compound with spectra: 1 NMR

.alpha.-Hydroxyalprazolam, tert-butyldimethylsilyl ether
SpectraBase Compound ID 3NK0PQ56QiS
InChI InChI=1S/C23H27ClN4OSi/c1-23(2,3)30(4,5)29-15-21-27-26-20-14-25-22(16-9-7-6-8-10-16)18-13-17(24)11-12-19(18)28(20)21/h6-13H,14-15H2,1-5H3
InChIKey PXYSHWDIWGJVDS-UHFFFAOYSA-N
Mol Weight 439.03 g/mol
Molecular Formula C23H27ClN4OSi
Exact Mass 438.164266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYuq5eQQ0lb
Name .alpha.-Hydroxyalprazolam, tert-butyldimethylsilyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.164265739 u
Formula C23H27ClN4OSi
InChI InChI=1S/C23H27ClN4OSi/c1-23(2,3)30(4,5)29-15-21-27-26-20-14-25-22(16-9-7-6-8-10-16)18-13-17(24)11-12-19(18)28(20)21/h6-13H,14-15H2,1-5H3
InChIKey PXYSHWDIWGJVDS-UHFFFAOYSA-N
Molecular Weight 439.034 g/mol
SMILES C1=CC=C(C=C1)C1=NCC2=NN=C(N2C2=C1C=C(C=C2)Cl)CO[Si](C)(C)C(C)(C)C