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Sertraline
SpectraBase Compound ID KoH5cGqo3wn
InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-N
Mol Weight 306.24 g/mol
Molecular Formula C17H17Cl2N
Exact Mass 305.073805 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3XtIfFAQDvb
Name Sertraline
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number Free base of 01557
Lot Number Free base of 070695B
Accessory DurasamplIR II
CAS Registry Number 79617-96-2
Classification Selective serotonin uptake inhibitor
Compound Type Pure
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Formula C17H17Cl2N
InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-N
Instrument Name Bio-Rad FTS
Sample Preparation Procedure The HCl salt was dissolved in 0.5 ml water in a test tube, and 1 drop of 30% NaOH solution was added, causing the clear solution to turn cloudy white. 1 ml dichloromethane was added to the test tube, which was shaken thoroughly using a vortex mixer. The test tube was spun in a centrifuge to separate the organic and aqueous layers. The bottom organic layer was retrieved with a pipette and placed in another clean test tube. Most of the solvent was evaporated from the tube using a flow of nitrogen gas, and the remaining solution was used to create a film on the diamond window for ATR-IR.
Source of Spectrum Forensic Spectral Research
Synonyms Zoloft; 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl- (1S-cis)-
Technique ATR-Film (MeCl2) (DuraSamplIR II)