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Nimesulide
SpectraBase Compound ID 4DkvkS0iekU
InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKey HYWYRSMBCFDLJT-UHFFFAOYSA-N
Mol Weight 308.31 g/mol
Molecular Formula C13H12N2O5S
Exact Mass 308.046693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 435yCipY5Q
Name Nimesulide
CAS Registry Number 51803-78-2
Classification Analgesic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 308.046692663 u
Formula C13H12N2O5S
InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKey HYWYRSMBCFDLJT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 308.308 g/mol
SMILES c1c(c(Oc2ccccc2)cc(N(=O)=O)c1)NS(=O)(=O)C
SPLASH splash10-0fb9-5952000000-e6efe9444d418a3b1441
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.
Sample Preparation Procedure Detected: P
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_7556