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Rofecoxib -SO2CH2

View entire compound with spectra: 2 MS (GC)

Rofecoxib -SO2CH2
SpectraBase Compound ID 8F4hLGsSHZR
InChI InChI=1S/C16H12O2/c17-16-15(13-9-5-2-6-10-13)14(11-18-16)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey CPBAHTZRJQATEJ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vOoo6FxvR2
Name 3,4-Diphenyl-2(5H)-furanone
Alternate Name(s) 3,4-Diphenyl-2H-furan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O2
InChI InChI=1S/C16H12O2/c17-16-15(13-9-5-2-6-10-13)14(11-18-16)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey CPBAHTZRJQATEJ-UHFFFAOYSA-N
Molecular Weight 236.270 g/mol
SMILES C1(OCC(=C1c1ccccc1)c1ccccc1)=O
SPLASH splash10-004i-0930000000-6afa003b77a283c531e9
Source of Spectrum K1-2003-2299-4
Wiley ID 1521210