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1,4-Benzenediol, 2-methyl-5-nitro-, dimethanesulfonate (ester)
SpectraBase Compound ID LRsYfJHFKNA
InChI InChI=1S/C9H11NO8S2/c1-6-4-9(18-20(3,15)16)7(10(11)12)5-8(6)17-19(2,13)14/h4-5H,1-3H3
InChIKey NIGFKCXCHPSBJJ-UHFFFAOYSA-N
Mol Weight 325.31 g/mol
Molecular Formula C9H11NO8S2
Exact Mass 324.992609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSLsXZawo0Y
Name 1,4-Benzenediol, 2-methyl-5-nitro-, dimethanesulfonate (ester)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO8S2
InChI InChI=1S/C9H11NO8S2/c1-6-4-9(18-20(3,15)16)7(10(11)12)5-8(6)17-19(2,13)14/h4-5H,1-3H3
InChIKey NIGFKCXCHPSBJJ-UHFFFAOYSA-N
Molecular Weight 325.306 g/mol
SMILES CS(Oc1cc(C)c(cc1[N+]([O-])=O)OS(C)(=O)=O)(=O)=O
SPLASH splash10-004i-9821000000-afdc3d20f714c4731ba3
Source of Spectrum JX-2015-3-400
Synonyms 2-Methyl-5-nitro-1,4-phenylene dimethanesulfonate 2-Methyl-5-nitrobenzene-1,4-diyl dimethanesulfonate Methanesulfonic acid (2-methyl-4-methylsulfonyloxy-5-nitrophenyl) ester (2-methyl-4-methylsulfonyloxy-5-nitrophenyl) methanesulfonate (2-methyl-4-methylsulfonyloxy-5-nitro-phenyl) methanesulfonate
Wiley ID 1723970