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Valdecoxib

View entire compound with spectra: 2 FTIR, 1 Raman, and 3 MS (GC)

Valdecoxib
SpectraBase Compound ID 5jEcevgbY1H
InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
InChIKey LNPDTQAFDNKSHK-UHFFFAOYSA-N
Mol Weight 314.36 g/mol
Molecular Formula C16H14N2O3S
Exact Mass 314.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFWbSofplY4
Name Valdecoxib
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O3S
InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
InChIKey LNPDTQAFDNKSHK-UHFFFAOYSA-N
Molecular Weight 314.359 g/mol
SMILES NS(c1ccc(-c2c(-c3ccccc3)noc2C)cc1)(=O)=O
SPLASH splash10-01ox-7963000000-42bcfd5795528e8c62aa
Source of Spectrum SWG-33-2762-0
Synonyms Bextra 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
Wiley ID 1809794