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exo-thc, Trifluoroacetate

View entire compound with spectra: 1 NMR

exo-thc, Trifluoroacetate
SpectraBase Compound ID L11UXRHQwWa
InChI InChI=1S/C23H29F3O3/c1-5-6-7-8-15-12-18(28-21(27)23(24,25)26)20-16-11-14(2)9-10-17(16)22(3,4)29-19(20)13-15/h12-13,16-17H,2,5-11H2,1,3-4H3
InChIKey UUDRGZDYOOKTBY-UHFFFAOYSA-N
Mol Weight 410.48 g/mol
Molecular Formula C23H29F3O3
Exact Mass 410.206879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kqqyUZK20W
Name exo-thc, Trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.206879280 u
Formula C23H29F3O3
InChI InChI=1S/C23H29F3O3/c1-5-6-7-8-15-12-18(28-21(27)23(24,25)26)20-16-11-14(2)9-10-17(16)22(3,4)29-19(20)13-15/h12-13,16-17H,2,5-11H2,1,3-4H3
InChIKey UUDRGZDYOOKTBY-UHFFFAOYSA-N
Molecular Weight 410.477 g/mol
SMILES CCCCCC1=CC(=C2C(=C1)OC(C1C2CC(CC1)=C)(C)C)OC(C(F)(F)F)=O