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4-Cyano-2-methoxyphenyl methanesulfonate
SpectraBase Compound ID 5GDf3L71tF5
InChI InChI=1S/C9H9NO4S/c1-13-9-5-7(6-10)3-4-8(9)14-15(2,11)12/h3-5H,1-2H3
InChIKey BXLKUGIFLBRHHP-UHFFFAOYSA-N
Mol Weight 227.23 g/mol
Molecular Formula C9H9NO4S
Exact Mass 227.025229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOldtYtHS7E
Name 4-Cyano-2-methoxyphenyl methanesulfonate
CAS Registry Number 80166-83-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4S
InChI InChI=1S/C9H9NO4S/c1-13-9-5-7(6-10)3-4-8(9)14-15(2,11)12/h3-5H,1-2H3
InChIKey BXLKUGIFLBRHHP-UHFFFAOYSA-N
Molecular Weight 227.234 g/mol
SMILES COc1cc(ccc1OS(C)(=O)=O)C#N
SPLASH splash10-004j-5930000000-1bc8a7a163b77feb0488
Source of Spectrum W5-1989-33759-31777
Synonyms 3-Methoxy-4-(methylsulfonyloxy)benzonitrile Methanesulfonic acid (4-cyano-2-methoxy-phenyl) ester Methanesulfonic acid (4-cyano-2-methoxyphenyl) ester (4-cyano-2-methoxyphenyl) methanesulfonate
Wiley ID 1228365