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3-(1-(3-bromobenzyl)-2,6-dioxocyclohexyl)propyl methanesulfonate
SpectraBase Compound ID 8gSHWPaJJWb
InChI InChI=1S/C17H21BrO5S/c1-24(21,22)23-10-4-9-17(15(19)7-3-8-16(17)20)12-13-5-2-6-14(18)11-13/h2,5-6,11H,3-4,7-10,12H2,1H3
InChIKey ARANZWRNQSRDLK-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 5MWHMzYgPW6
Name 3-(1-(3-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)23-10-4-9-17(15(19)7-3-8-16(17)20)12-13-5-2-6-14(18)11-13/h2,5-6,11H,3-4,7-10,12H2,1H3
InChIKey ARANZWRNQSRDLK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201100171
Molecular Weight 417.314 g/mol
SMILES C1(=O)CCCC(C1(Cc1cccc(c1)Br)CCCOS(C)(=O)=O)=O
SPLASH splash10-0uxr-1902000000-0fff19b7abff9a7c2705
Source of Spectrum CAJ-6-1344/SM11-10f
Wiley ID 1773034