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4-cyano CUMYL-BUT7AICA

View entire compound with spectra: 3 FTIR, 1 Raman, and 4 MS (GC)

4-cyano CUMYL-BUT7AICA
SpectraBase Compound ID 2rg7rP34WNj
InChI InChI=1S/C22H24N4O/c1-22(2,17-10-5-3-6-11-17)25-21(27)19-16-26(15-8-4-7-13-23)20-18(19)12-9-14-24-20/h3,5-6,9-12,14,16H,4,7-8,15H2,1-2H3,(H,25,27)
InChIKey DYPZVGXELGJCHD-UHFFFAOYSA-N
Mol Weight 360.46 g/mol
Molecular Formula C22H24N4O
Exact Mass 360.195011 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F3sOkcF6cPl
Name 4-Cyano CUMYL-BUT7AICA
Source of Sample Cayman Chemical Company
Catalog Number 22818
Lot Number 0525717-2
Acronyms 4CN-CUMYL-B7AICA; 4CN-CUMYL-BUT7AICA; CUMYL-4CN-B7AICA
Apodization Function Norton-Beer, medium
CAS Registry Number 2160555-53-1
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N4O
IUPAC Name 1-(4-Cyanobutyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
InChI InChI=1S/C22H24N4O/c1-22(2,17-10-5-3-6-11-17)25-21(27)19-16-26(15-8-4-7-13-23)20-18(19)12-9-14-24-20/h3,5-6,9-12,14,16H,4,7-8,15H2,1-2H3,(H,25,27)
InChIKey DYPZVGXELGJCHD-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 360.461 g/mol
SMILES N(C(c1c[n](c2ncccc12)CCCCC#N)=O)C(C)(c1ccccc1)C
Source of Spectrum Forensic Spectral Research
Technique KBr0