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aniline-2-sulfonic, 1TMS
SpectraBase Compound ID LY9AYA2z1e8
InChI InChI=1S/C9H15NO3SSi/c1-15(2,3)13-14(11,12)9-7-5-4-6-8(9)10/h4-7H,10H2,1-3H3
InChIKey WDLILIUXURHHPQ-UHFFFAOYSA-N
Mol Weight 245.37 g/mol
Molecular Formula C9H15NO3SSi
Exact Mass 245.054191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrzzfMykJNr
Name aniline-2-sulfonic, 1TMS
Comments Derivatization type: 1 TMS (mass: 245.054); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000025; Note: The molecular formula of the structure shown is C6H7NO3S - which differs from the formula reported for the mass spectrum (C9H15NO3SSi)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO3SSi
InChI InChI=1S/C9H15NO3SSi/c1-15(2,3)13-14(11,12)9-7-5-4-6-8(9)10/h4-7H,10H2,1-3H3
InChIKey WDLILIUXURHHPQ-UHFFFAOYSA-N
Molecular Weight 245.368 g/mol
SMILES Nc1ccccc1S(O[Si](C)(C)C)(=O)=O
SPLASH splash10-0002-4930000000-cb3fbafbfff97b7ae0bc
Source of Spectrum FM-2019-25-0
Synonyms Orthanilic acid, 1TMS o-Sulfanilic acid, 1TMS Aniline-o-sulfonic acid, 1TMS o-Aminobenzenesulfonic acid, 1TMS 2-Sulfanilic acid, 1TMS 2-Aminobenzenesulfonic acid, 1TMS 2-Aminobenzenesulfonic acid, 1TMS Trimethylsilyl 2-aminobenzenesulfonate
Wiley ID 1817726