For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

jwh-073 3-Hydroxybutyl metabolite, trifluoroacetate

View entire compound with spectra: 1 NMR

jwh-073 3-Hydroxybutyl metabolite, trifluoroacetate
SpectraBase Compound ID 3mafApSdksE
InChI InChI=1S/C25H20F3NO3/c1-16(32-24(31)25(26,27)28)13-14-29-15-21(19-10-4-5-12-22(19)29)23(30)20-11-6-8-17-7-2-3-9-18(17)20/h2-12,15-16H,13-14H2,1H3
InChIKey OZVDYSLOUMSDOD-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FbVgvV1sJMX
Name jwh-073 3-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/c1-16(32-24(31)25(26,27)28)13-14-29-15-21(19-10-4-5-12-22(19)29)23(30)20-11-6-8-17-7-2-3-9-18(17)20/h2-12,15-16H,13-14H2,1H3
InChIKey OZVDYSLOUMSDOD-UHFFFAOYSA-N
Molecular Weight 439.434 g/mol
SMILES C(=O)(C=1C2=C(C=CC=C2)N(C1)CCC(C)OC(C(F)(F)F)=O)C1=C2C(=CC=C1)C=CC=C2