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

*Links on SpectraBase are not permalinks.

jwh-019 5-Hydroxyhexyl metabolite, trifluoroacetate

View entire compound with spectra: 1 NMR

jwh-019 5-Hydroxyhexyl metabolite, trifluoroacetate
SpectraBase Compound ID Ggs3Gfj0c1M
InChI InChI=1S/C27H24F3NO3/c1-18(34-26(33)27(28,29)30)9-6-7-16-31-17-23(21-13-4-5-15-24(21)31)25(32)22-14-8-11-19-10-2-3-12-20(19)22/h2-5,8,10-15,17-18H,6-7,9,16H2,1H3
InChIKey BUEBMPNZEAWYIF-UHFFFAOYSA-N
Mol Weight 467.49 g/mol
Molecular Formula C27H24F3NO3
Exact Mass 467.170828 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 GnRzNKIRT7s
Name jwh-019 5-Hydroxyhexyl metabolite, trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.170828123 u
Formula C27H24F3NO3
InChI InChI=1S/C27H24F3NO3/c1-18(34-26(33)27(28,29)30)9-6-7-16-31-17-23(21-13-4-5-15-24(21)31)25(32)22-14-8-11-19-10-2-3-12-20(19)22/h2-5,8,10-15,17-18H,6-7,9,16H2,1H3
InChIKey BUEBMPNZEAWYIF-UHFFFAOYSA-N
Molecular Weight 467.488 g/mol
SMILES C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCCC(C)OC(C(F)(F)F)=O)C1=C2C(=CC=C1)C=CC=C2