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jwh-122 4-Hydroxypentyl metabolite, trimethylsilyl ether

View entire compound with spectra: 1 NMR

jwh-122 4-Hydroxypentyl metabolite, trimethylsilyl ether
SpectraBase Compound ID 8KlvDryl54
InChI InChI=1S/C28H33NO2Si/c1-20-16-17-25(23-13-7-6-12-22(20)23)28(30)26-19-29(27-15-9-8-14-24(26)27)18-10-11-21(2)31-32(3,4)5/h6-9,12-17,19,21H,10-11,18H2,1-5H3
InChIKey CPIMOVMQVBMGBE-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 KideXuDsPfX
Name jwh-122 4-Hydroxypentyl 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/c1-20-16-17-25(23-13-7-6-12-22(20)23)28(30)26-19-29(27-15-9-8-14-24(26)27)18-10-11-21(2)31-32(3,4)5/h6-9,12-17,19,21H,10-11,18H2,1-5H3
InChIKey CPIMOVMQVBMGBE-UHFFFAOYSA-N
Molecular Weight 443.662 g/mol
SMILES C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCC(C)O[Si](C)(C)C)C1=C2C(=C(C=C1)C)C=CC=C2