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ur-144 5-Hydroxypentyl metabolite, trimethylsilyl ether
SpectraBase Compound ID JfMfJzBSNgO
InChI InChI=1S/C24H37NO2Si/c1-23(2)22(24(23,3)4)21(26)19-17-25(20-14-10-9-13-18(19)20)15-11-8-12-16-27-28(5,6)7/h9-10,13-14,17,22H,8,11-12,15-16H2,1-7H3
InChIKey YEGUFVWRLNMBGM-UHFFFAOYSA-N
Mol Weight 399.7 g/mol
Molecular Formula C24H37NO2Si
Exact Mass 399.259356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qVi0xPuX23
Name ur-144 5-Hydroxypentyl metabolite, trimethylsilyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.259355968 u
Formula C24H37NO2Si
InChI InChI=1S/C24H37NO2Si/c1-23(2)22(24(23,3)4)21(26)19-17-25(20-14-10-9-13-18(19)20)15-11-8-12-16-27-28(5,6)7/h9-10,13-14,17,22H,8,11-12,15-16H2,1-7H3
InChIKey YEGUFVWRLNMBGM-UHFFFAOYSA-N
Molecular Weight 399.650 g/mol
SMILES C(=O)(C1C(C)(C)C1(C)C)C=1C2=C(C=CC=C2)N(C1)CCCCCO[Si](C)(C)C