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Nimesulide ME
SpectraBase Compound ID JRQ81F80ikJ
InChI InChI=1S/C14H14N2O5S/c1-15(22(2,19)20)13-9-8-11(16(17)18)10-14(13)21-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey ZAZJDLIOZBAKOZ-UHFFFAOYSA-N
Mol Weight 322.34 g/mol
Molecular Formula C14H14N2O5S
Exact Mass 322.062343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bTlw8Boh9A
Name Nimesulide ME
Classification Analgesic
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Exact Mass 322.062342728 u
Formula C14H14N2O5S
InChI InChI=1S/C14H14N2O5S/c1-15(22(2,19)20)13-9-8-11(16(17)18)10-14(13)21-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey ZAZJDLIOZBAKOZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 322.335 g/mol
SMILES c1c(N(S(=O)(C)=O)C)c(cc(c1)N(=O)=O)Oc1ccccc1
SPLASH splash10-0006-8952000000-fb8e6c5b5793fb8a8a99
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_7557