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5-IAI
SpectraBase Compound ID D4hje2AAyeW
InChI InChI=1S/C9H10IN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
InChIKey BIHPYCDDPGNWQO-UHFFFAOYSA-N
Mol Weight 259.09 g/mol
Molecular Formula C9H10IN
Exact Mass 258.985794 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID KYFyxrjOUi
Name 5-IAI
Source of Sample Cayman Chemical Company
Catalog Number Free base of 11035
Lot Number Free base of 0469469-5
Accessory DurasamplIR II
CAS Registry Number 132367-76-1
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10IN
IUPAC Name 2,3-Dihydro-5-iodo-1H-inden-2-amine
InChI InChI=1S/C9H10IN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
InChIKey BIHPYCDDPGNWQO-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 259.090 g/mol
SMILES NC1Cc2ccc(cc2C1)I
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.
Solvent Dichloromethane
Source of Spectrum Forensic Spectral Research
Synonyms 5-Iodo-2-aminoindane
Technique ATR-Film