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2-(3-Phenylpropylamino)octanenitrile

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

2-(3-Phenylpropylamino)octanenitrile
SpectraBase Compound ID 7XKciXoJTIb
InChI InChI=1S/C17H26N2/c1-2-3-4-8-13-17(15-18)19-14-9-12-16-10-6-5-7-11-16/h5-7,10-11,17,19H,2-4,8-9,12-14H2,1H3
InChIKey WVTCDWYBDAAGJI-UHFFFAOYSA-N
Mol Weight 258.41 g/mol
Molecular Formula C17H26N2
Exact Mass 258.209599 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DYPVxe8ReUn
Name 2-(3-Phenylpropylamino)octanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.209598845 u
Formula C17H26N2
InChI InChI=1S/C17H26N2/c1-2-3-4-8-13-17(15-18)19-14-9-12-16-10-6-5-7-11-16/h5-7,10-11,17,19H,2-4,8-9,12-14H2,1H3
InChIKey WVTCDWYBDAAGJI-UHFFFAOYSA-N
Molecular Weight 258.409 g/mol
SMILES C(#N)C(NCCCC=1C=CC=CC1)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978081