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jwh-250 5-Hydroxypentyl metabolite, trimethylsilyl ether
SpectraBase Compound ID KUlt87gqVGj
InChI InChI=1S/C25H33NO3Si/c1-28-25-15-9-6-12-20(25)18-24(27)22-19-26(23-14-8-7-13-21(22)23)16-10-5-11-17-29-30(2,3)4/h6-9,12-15,19H,5,10-11,16-18H2,1-4H3
InChIKey ZHQSMUSHCJDFTL-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C25H33NO3Si
Exact Mass 423.22297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fsajek559Fs
Name jwh-250 5-Hydroxypentyl metabolite, trimethylsilyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.222970459 u
Formula C25H33NO3Si
InChI InChI=1S/C25H33NO3Si/c1-28-25-15-9-6-12-20(25)18-24(27)22-19-26(23-14-8-7-13-21(22)23)16-10-5-11-17-29-30(2,3)4/h6-9,12-15,19H,5,10-11,16-18H2,1-4H3
InChIKey ZHQSMUSHCJDFTL-UHFFFAOYSA-N
Molecular Weight 423.628 g/mol
SMILES C(CC1=C(OC)C=CC=C1)(=O)C=1C2=C(C=CC=C2)N(C1)CCCCCO[Si](C)(C)C