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N-(2'-Cyanoethyl)-N-(3""""-cyanopropyl)-4-phenylbutanamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-(2'-Cyanoethyl)-N-(3""""-cyanopropyl)-4-phenylbutanamine
SpectraBase Compound ID BJrJwas0ffW
InChI InChI=1S/C17H23N3/c18-12-5-7-15-20(16-8-13-19)14-6-4-11-17-9-2-1-3-10-17/h1-3,9-10H,4-8,11,14-16H2
InChIKey CLLVGOUBFXKCBD-UHFFFAOYSA-N
Mol Weight 269.39 g/mol
Molecular Formula C17H23N3
Exact Mass 269.189198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DHuZijbr9JZ
Name N-(2'-Cyanoethyl)-N-(3""""-cyanopropyl)-4-phenylbutanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.189197753 u
Formula C17H23N3
InChI InChI=1S/C17H23N3/c18-12-5-7-15-20(16-8-13-19)14-6-4-11-17-9-2-1-3-10-17/h1-3,9-10H,4-8,11,14-16H2
InChIKey CLLVGOUBFXKCBD-UHFFFAOYSA-N
Molecular Weight 269.392 g/mol
SMILES C(#N)CCN(CCCC#N)CCCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96814