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Diperodon HCl

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

Diperodon HCl
SpectraBase Compound ID DGJdixupj85
InChI InChI=1S/C22H27N3O4.ClH/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27);1H
InChIKey OWULVAZDMWJBLB-UHFFFAOYSA-N
Mol Weight 433.94 g/mol
Molecular Formula C22H28ClN3O4
Exact Mass 433.176834 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 1HKZTqvXqkz
Name Diperodon HCl
Source of Sample Sigma-Aldrich Company Llc
Catalog Number D8536
Lot Number 062H0404V
Accessory DurasamplIR II
CAS Registry Number 537-12-2
Classification dopamine receptor
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28ClN3O4
InChI InChI=1S/C22H27N3O4.ClH/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27);1H
InChIKey OWULVAZDMWJBLB-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES N(c1ccccc1)C(OC(COC(Nc1ccccc1)=O)CN1CCCCC1)=O.Cl
Source of Spectrum Forensic Spectral Research
Synonyms 3-​(1-​Piperidinyl)​-​1,2-​propanediol bis(phenylcarbamate) HCl; [2-(Phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate, hydrochloride
Technique ATR-Neat (DuraSamplIR II)