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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 2ojBQpLP0K
Name 2(5H)-furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl-
Alternate Name(s) 3-(4-mesylphenyl)-4-phenyl-2H-furan-5-one 3-(4-Methylsulfonylphenyl)-4-phenyl-2H-furan-5-one 3-Phenyl-4-(4-(methylsulfonyl)phenyl))-2(5H)-furanone 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone Rofecoxib VIOXX Vioxx (trademark) MK 966 MK 996 CCRIS 8967 MK 0966 MK 0996
CAS Registry Number 162011-90-7
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(S(=O)(=O)C)ccc(C2=C(C(=O)OC2)c2ccccc2)cc1
SPLASH splash10-056r-1921000000-be563e5cfef08026dda0
Wiley ID 1510031