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3-Hydroxy-4-(methylsulphonyloxy)benzonitrile
SpectraBase Compound ID 7SniNeQEVBv
InChI InChI=1S/C8H7NO4S/c1-14(11,12)13-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3
InChIKey MFNNYINQWFBXAF-UHFFFAOYSA-N
Mol Weight 213.21 g/mol
Molecular Formula C8H7NO4S
Exact Mass 213.009579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CThbDVbQVLq
Name 3-Hydroxy-4-(methylsulphonyloxy)benzonitrile
CAS Registry Number 80166-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4S
InChI InChI=1S/C8H7NO4S/c1-14(11,12)13-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3
InChIKey MFNNYINQWFBXAF-UHFFFAOYSA-N
Molecular Weight 213.207 g/mol
SMILES Oc1c(OS(=O)(=O)C)ccc(C#N)c1
SPLASH splash10-0m1i-6930000000-fe8157e1f4a06118b2a2
Source of Spectrum W5-1989-33760-31776
Synonyms 4-cyano-2-hydroxyphenyl methanesulfonate
Wiley ID 1212333