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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ItPes0RXnT2
Name Rofecoxib
Source of Sample Merck & Co., Inc.
Catalog Number MRK 74 tablet
Lot Number K6869
CAS Registry Number 162011-90-7
Copyright Copyright © 2012-2024 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
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd: YAG
Raman Laser Wavelength 1064
Sadtler IR Number DW0698
Source of Spectrum Forensic Spectral Research
Synonyms Vioxx®
Technique FT-Raman