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Rofecoxib
SpectraBase Compound ID 7bq6XTVIy1O
InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey RZJQGNCSTQAWON-UHFFFAOYSA-N
Mol Weight 314.36 g/mol
Molecular Formula C17H14O4S
Exact Mass 314.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HC9U9ufw0
Name Rofecoxib
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O4S
InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey RZJQGNCSTQAWON-UHFFFAOYSA-N
Molecular Weight 314.355 g/mol
SMILES C1(=O)OCC(c2ccc(S(=O)(C)=O)cc2)=C1c1ccccc1
SPLASH splash10-056r-1921000000-b60877c616918c7bbde6
Source of Spectrum SWG-33-2003-0
Synonyms Vioxx 4-(4-(methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one
Wiley ID 1809474