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Am2201 4-hydroxypentyl metabolite, trimethylsilyl ether
SpectraBase Compound ID AWqceIW4spj
InChI InChI=1S/C27H30FNO2Si/c1-32(2,3)31-21(18-28)12-9-17-29-19-25(23-14-6-7-16-26(23)29)27(30)24-15-8-11-20-10-4-5-13-22(20)24/h4-8,10-11,13-16,19,21H,9,12,17-18H2,1-3H3
InChIKey CGQVEIVQBIRKBV-UHFFFAOYSA-N
Mol Weight 447.63 g/mol
Molecular Formula C27H30FNO2Si
Exact Mass 447.202984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KECyMeW1jnX
Name Am2201 4-hydroxypentyl metabolite, trimethylsilyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.202983906 u
Formula C27H30FNO2Si
InChI InChI=1S/C27H30FNO2Si/c1-32(2,3)31-21(18-28)12-9-17-29-19-25(23-14-6-7-16-26(23)29)27(30)24-15-8-11-20-10-4-5-13-22(20)24/h4-8,10-11,13-16,19,21H,9,12,17-18H2,1-3H3
InChIKey CGQVEIVQBIRKBV-UHFFFAOYSA-N
Molecular Weight 447.625 g/mol
SMILES C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCC(CF)O[Si](C)(C)C)C1=C2C(=CC=C1)C=CC=C2