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3-(1-(2-fluorobenzyl)-2,6-dioxocyclohexyl)propyl methanesulfonate
SpectraBase Compound ID El1mYK4XAwZ
InChI InChI=1S/C17H21FO5S/c1-24(21,22)23-11-5-10-17(15(19)8-4-9-16(17)20)12-13-6-2-3-7-14(13)18/h2-3,6-7H,4-5,8-12H2,1H3
InChIKey QTJYIFPWSBDUFX-UHFFFAOYSA-N
Mol Weight 356.41 g/mol
Molecular Formula C17H21FO5S
Exact Mass 356.109373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMMhoI56PJf
Name 3-(1-(2-fluorobenzyl)-2,6-dioxocyclohexyl)propyl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21FO5S
InChI InChI=1S/C17H21FO5S/c1-24(21,22)23-11-5-10-17(15(19)8-4-9-16(17)20)12-13-6-2-3-7-14(13)18/h2-3,6-7H,4-5,8-12H2,1H3
InChIKey QTJYIFPWSBDUFX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201100171
Molecular Weight 356.408 g/mol
SMILES C1(=O)CCCC(C1(Cc1ccccc1F)CCCOS(C)(=O)=O)=O
SPLASH splash10-0a4i-2920000000-f3af30243248d01e691a
Source of Spectrum CAJ-6-1344/SM11-10h
Wiley ID 1773036