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Am2201 4-hydroxypentyl metabolite, trifluoroacetate

View entire compound with spectra: 1 NMR

Am2201 4-hydroxypentyl metabolite, trifluoroacetate
SpectraBase Compound ID GHpSrf0HeEb
InChI InChI=1S/C26H21F4NO3/c27-15-18(34-25(33)26(28,29)30)9-6-14-31-16-22(20-11-3-4-13-23(20)31)24(32)21-12-5-8-17-7-1-2-10-19(17)21/h1-5,7-8,10-13,16,18H,6,9,14-15H2
InChIKey RXMNFUXVVSSJHJ-UHFFFAOYSA-N
Mol Weight 471.45 g/mol
Molecular Formula C26H21F4NO3
Exact Mass 471.145756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5hu2l8vAwH
Name Am2201 4-hydroxypentyl metabolite, trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.145756189 u
Formula C26H21F4NO3
InChI InChI=1S/C26H21F4NO3/c27-15-18(34-25(33)26(28,29)30)9-6-14-31-16-22(20-11-3-4-13-23(20)31)24(32)21-12-5-8-17-7-1-2-10-19(17)21/h1-5,7-8,10-13,16,18H,6,9,14-15H2
InChIKey RXMNFUXVVSSJHJ-UHFFFAOYSA-N
Molecular Weight 471.452 g/mol
SMILES C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCC(CF)OC(C(F)(F)F)=O)C1=C2C(=CC=C1)C=CC=C2