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jwh-073 4-Hydroxybutyl metabolite, trifluoroacetate

View entire compound with spectra: 1 NMR

jwh-073 4-Hydroxybutyl metabolite, trifluoroacetate
SpectraBase Compound ID 8MIzThQV4u
InChI InChI=1S/C25H20F3NO3/c26-25(27,28)24(31)32-15-6-5-14-29-16-21(19-11-3-4-13-22(19)29)23(30)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,5-6,14-15H2
InChIKey ZYEHAWTUWHTOPA-UHFFFAOYSA-N
Mol Weight 439.43 g/mol
Molecular Formula C25H20F3NO3
Exact Mass 439.139528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1syFrpa6tfk
Name jwh-073 4-Hydroxybutyl metabolite, trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.139527994 u
Formula C25H20F3NO3
InChI InChI=1S/C25H20F3NO3/c26-25(27,28)24(31)32-15-6-5-14-29-16-21(19-11-3-4-13-22(19)29)23(30)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,5-6,14-15H2
InChIKey ZYEHAWTUWHTOPA-UHFFFAOYSA-N
Molecular Weight 439.434 g/mol
SMILES C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCCOC(C(F)(F)F)=O)C1=C2C(=CC=C1)C=CC=C2