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(+/-)-Niguldipine
SpectraBase Compound ID Fdd3ziD6Kwo
InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3
InChIKey SVJMLYUFVDMUHP-UHFFFAOYSA-N
Mol Weight 609.7 g/mol
Molecular Formula C36H39N3O6
Exact Mass 609.283886 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 99aRxuSvjjD
Name (+/-)-Niguldipine
Source of Sample Biomol International, L.P.
Catalog Number Free base of CA-216
Lot Number Free base of 3-R1012K
Accessory DurasamplIR II
CAS Registry Number 102993-22-6
Compound Type Pure
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Formula C36H39N3O6
InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3
InChIKey SVJMLYUFVDMUHP-UHFFFAOYSA-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
Technique ATR-Film (MeCl2) (DuraSamplIR II)