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XLR11 N-(4-hydroxypentyl) metabolite

View entire compound with spectra: 2 MS (GC)

XLR11 N-(4-hydroxypentyl) metabolite
SpectraBase Compound ID C7vOor7XibA
InChI InChI=1S/C21H28FNO2/c1-20(2)19(21(20,3)4)18(25)16-13-23(11-7-8-14(24)12-22)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,19,24H,7-8,11-12H2,1-4H3
InChIKey MDPXVRYUGDTVIS-UHFFFAOYSA-N
Mol Weight 345.46 g/mol
Molecular Formula C21H28FNO2
Exact Mass 345.210407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ck7Gea93hY
Name XLR11 N-(4-hydroxypentyl) metabolite
Catalog Number 11770
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28FNO2
InChI InChI=1S/C21H28FNO2/c1-20(2)19(21(20,3)4)18(25)16-13-23(11-7-8-14(24)12-22)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,19,24H,7-8,11-12H2,1-4H3
InChIKey MDPXVRYUGDTVIS-UHFFFAOYSA-N
Molecular Weight 345.458 g/mol
SMILES OC(CCC[n]1cc(C(=O)C2C(C2(C)C)(C)C)c2c1cccc2)CF
SPLASH splash10-0006-3940000000-22b7274918ceda15a9c7
Source of Spectrum CAY-2023-1785-0
Wiley ID 1889722