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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID F9S1KgFV9pm
Name Agomelatine
Source of Sample Cayman Chemical Company
Catalog Number 13203
Lot Number 0415079-27
CAS Registry Number 138112-76-2
Cell Type Capillary tube
Compound Type Pure
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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
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 1002 mW
Raman Laser Source Nd:YAG
SMILES N(CCc1cccc2ccc(cc12)OC)C(=O)C
Scans Performed 3520
Source of Spectrum Forensic Spectral Research
Technique FT-Raman