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3-[3-(3-Phenylpropoxy)propyl]pyridine

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

3-[3-(3-Phenylpropoxy)propyl]pyridine
SpectraBase Compound ID LLtIRJEjnfd
InChI InChI=1S/C17H21NO/c1-2-7-16(8-3-1)10-5-13-19-14-6-11-17-9-4-12-18-15-17/h1-4,7-9,12,15H,5-6,10-11,13-14H2
InChIKey PDQSBVZSHRPGQI-UHFFFAOYSA-N
Mol Weight 255.36 g/mol
Molecular Formula C17H21NO
Exact Mass 255.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HPZQ37p8CSU
Name 3-[3-(3-Phenylpropoxy)propyl]pyridine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.162314299 u
Formula C17H21NO
InChI InChI=1S/C17H21NO/c1-2-7-16(8-3-1)10-5-13-19-14-6-11-17-9-4-12-18-15-17/h1-4,7-9,12,15H,5-6,10-11,13-14H2
InChIKey PDQSBVZSHRPGQI-UHFFFAOYSA-N
Molecular Weight 255.361 g/mol
SMILES C1=NC=CC=C1CCCOCCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877065