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Tazarotene
SpectraBase Compound ID t1wf5XOYyB
InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
InChIKey OGQICQVSFDPSEI-UHFFFAOYSA-N
Mol Weight 351.46 g/mol
Molecular Formula C21H21NO2S
Exact Mass 351.1293 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 50N6cVdglok
Name Tazarotene
Source of Sample Cayman Chemical Company
Catalog Number 23559
Lot Number 0517206-2
CAS Registry Number 118292-40-3
Cell Type Capillary tube
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2S
IUPAC Name 6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid, ethyl ester
InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
InChIKey OGQICQVSFDPSEI-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 600 mW
Raman Laser Source Nd:YAG
SMILES c1c(ccc(n1)C#Cc1cc2c(cc1)SCCC2(C)C)C(OCC)=O
Scans Performed 1472
Source of Spectrum Forensic Spectral Research
Synonyms AGN 190168
Technique FT-Raman