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Agomelatine
SpectraBase Compound ID D7pAQIY4jMd
InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKey YJYPHIXNFHFHND-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C15H17NO2
Exact Mass 243.125929 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID FwuWNwoHFhJ
Name Agomelatine
Source of Sample Cayman Chemical Company
Catalog Number 13203
Lot Number 0415079-27
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 138112-76-2
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Formula C15H17NO2
IUPAC Name N-[2-(7-Methoxy-1-naphthalenyl)ethyl]acetamide
InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKey YJYPHIXNFHFHND-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES N(CCc1cccc2ccc(cc12)OC)C(=O)C
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat