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jwh-019 6-Hydroxyhexyl metabolite, trimethylsilyl ether

View entire compound with spectra: 1 NMR

jwh-019 6-Hydroxyhexyl metabolite, trimethylsilyl ether
SpectraBase Compound ID CSUxgR2rNwv
InChI InChI=1S/C28H33NO2Si/c1-32(2,3)31-20-11-5-4-10-19-29-21-26(24-16-8-9-18-27(24)29)28(30)25-17-12-14-22-13-6-7-15-23(22)25/h6-9,12-18,21H,4-5,10-11,19-20H2,1-3H3
InChIKey YKKLRNXHMKFQFH-UHFFFAOYSA-N
Mol Weight 443.7 g/mol
Molecular Formula C28H33NO2Si
Exact Mass 443.228056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31cl0W5krh8
Name jwh-019 6-Hydroxyhexyl metabolite, trimethylsilyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.228055840 u
Formula C28H33NO2Si
InChI InChI=1S/C28H33NO2Si/c1-32(2,3)31-20-11-5-4-10-19-29-21-26(24-16-8-9-18-27(24)29)28(30)25-17-12-14-22-13-6-7-15-23(22)25/h6-9,12-18,21H,4-5,10-11,19-20H2,1-3H3
InChIKey YKKLRNXHMKFQFH-UHFFFAOYSA-N
Molecular Weight 443.662 g/mol
SMILES C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCCCCO[Si](C)(C)C)C1=C2C(=CC=C1)C=CC=C2