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3-(1-(4-bromobenzyl)-2,6-dioxocyclohexyl)propyl methanesulfonate
SpectraBase Compound ID ImKikAzt1im
InChI InChI=1S/C17H21BrO5S/c1-24(21,22)23-11-3-10-17(15(19)4-2-5-16(17)20)12-13-6-8-14(18)9-7-13/h6-9H,2-5,10-12H2,1H3
InChIKey XPLMRLSZCATFPR-UHFFFAOYSA-N
Mol Weight 417.31 g/mol
Molecular Formula C17H21BrO5S
Exact Mass 416.029308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33jOuN9r3C3
Name 3-(1-(4-bromobenzyl)-2,6-dioxocyclohexyl)propyl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21BrO5S
InChI InChI=1S/C17H21BrO5S/c1-24(21,22)23-11-3-10-17(15(19)4-2-5-16(17)20)12-13-6-8-14(18)9-7-13/h6-9H,2-5,10-12H2,1H3
InChIKey XPLMRLSZCATFPR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201100171
Molecular Weight 417.314 g/mol
SMILES C1(=O)CCCC(C1(Cc1ccc(cc1)Br)CCCOS(C)(=O)=O)=O
SPLASH splash10-0g4i-0901000000-6e81947343fab9b6c30d
Source of Spectrum CAJ-6-1344/SM10-10e
Wiley ID 1773033