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Rofecoxib

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 7 MS (GC)

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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID DPvhEAlcJY
Name Rofecoxib
Source of Sample Merck & Co., Inc.
Catalog Number MRK 74 tablet
Lot Number K6869
Accessory DurasamplIR II
CAS Registry Number 162011-90-7
Copyright Copyright © 2009-2024 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
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms VIOXX
Technique ATR-Neat (DuraSamplIR II)