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Ambroxol
SpectraBase Compound ID 9JEOPUBbhBq
InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-
InChIKey JBDGDEWWOUBZPM-XYPYZODXSA-N
Mol Weight 378.11 g/mol
Molecular Formula C13H18Br2N2O
Exact Mass 375.978589 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID HmbpsFvLSkR
Name Ambroxol
Source of Sample Spectrum Chemical Manufacturing Corp.
Catalog Number Free base of A3028
Lot Number Free base of SC0896
Accessory DurasamplIR II
CAS Registry Number 18683-91-5
Compound Type Pure
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Formula C13H18Br2N2O
InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-
InChIKey JBDGDEWWOUBZPM-XYPYZODXSA-N
Instrument Name Bio-Rad FTS
SMILES N(Cc1cc(cc(c1N)Br)Br)[C@]1(CC[C@@](CC1)(O)[H])[H]
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
Technique ATR-Film (MeCl2) (DuraSamplIR II)