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(4-methyl-3-nitro-phenyl) methanesulfonate
SpectraBase Compound ID 6PndBEwnCfY
InChI InChI=1S/C8H9NO5S/c1-6-3-4-7(14-15(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3
InChIKey OHHVNWZWGWVFJC-UHFFFAOYSA-N
Mol Weight 231.22 g/mol
Molecular Formula C8H9NO5S
Exact Mass 231.020144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ewvsfl6DNwO
Name (4-methyl-3-nitro-phenyl) methanesulfonate
Alternate Name(s) Methanesulfonic acid (4-methyl-3-nitro-phenyl) ester Methanesulfonic acid (4-methyl-3-nitrophenyl) ester
CAS Registry Number 16296-53-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO5S
InChI InChI=1S/C8H9NO5S/c1-6-3-4-7(14-15(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3
InChIKey OHHVNWZWGWVFJC-UHFFFAOYSA-N
Molecular Weight 231.222 g/mol
SMILES c1(OS(=O)(=O)C)cc(N(=O)=O)c(cc1)C
SPLASH splash10-0a4r-1940000000-500173d19fccfcb22f1f
Source of Spectrum KC-1990-2479-0
Wiley ID 1232479