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Nimesulide artifact (-SO2CH2) AC
SpectraBase Compound ID IW3w0qXVrqh
InChI InChI=1S/C14H12N2O4/c1-10(17)15-13-8-7-11(16(18)19)9-14(13)20-12-5-3-2-4-6-12/h2-9H,1H3,(H,15,17)
InChIKey AIFHOCWDDQMJDJ-UHFFFAOYSA-N
Mol Weight 272.26 g/mol
Molecular Formula C14H12N2O4
Exact Mass 272.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7i0dfbfQND1
Name Nimesulide artifact (-SO2CH2) AC
Classification Analgesic
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Exact Mass 272.079706870 u
Formula C14H12N2O4
InChI InChI=1S/C14H12N2O4/c1-10(17)15-13-8-7-11(16(18)19)9-14(13)20-12-5-3-2-4-6-12/h2-9H,1H3,(H,15,17)
InChIKey AIFHOCWDDQMJDJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 272.260 g/mol
SMILES c1cc(N(=O)=O)cc(c1NC(=O)C)Oc1ccccc1
SPLASH splash10-001i-3590000000-0453dd194ae3fde92976
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_7559