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3-(1-(2-methylbenzyl)-2,6-dioxocyclohexyl)propyl methanesulfonate
SpectraBase Compound ID LWzxAHHIzSy
InChI InChI=1S/C18H24O5S/c1-14-7-3-4-8-15(14)13-18(11-6-12-23-24(2,21)22)16(19)9-5-10-17(18)20/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKey NBJBNWYIDCWESM-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C18H24O5S
Exact Mass 352.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75xEyeLUp5s
Name 3-(1-(2-methylbenzyl)-2,6-dioxocyclohexyl)propyl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O5S
InChI InChI=1S/C18H24O5S/c1-14-7-3-4-8-15(14)13-18(11-6-12-23-24(2,21)22)16(19)9-5-10-17(18)20/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKey NBJBNWYIDCWESM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201100171
Molecular Weight 352.445 g/mol
SMILES C1(=O)CCCC(C1(Cc1ccccc1C)CCCOS(C)(=O)=O)=O
SPLASH splash10-0a4i-0900000000-6a6dab6315edb98e1e1f
Source of Spectrum CAJ-6-1344/SM12-10i
Wiley ID 1773037