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2-(3-Phenylpropylamino)butanenitrile

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2-(3-Phenylpropylamino)butanenitrile
SpectraBase Compound ID 6JRgb5k9D4m
InChI InChI=1S/C13H18N2/c1-2-13(11-14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-10H2,1H3
InChIKey RALKJFHEVRPLDD-UHFFFAOYSA-N
Mol Weight 202.3 g/mol
Molecular Formula C13H18N2
Exact Mass 202.146999 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmJQi1tuBYI
Name 2-(3-Phenylpropylamino)butanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.146998588 u
Formula C13H18N2
InChI InChI=1S/C13H18N2/c1-2-13(11-14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-10H2,1H3
InChIKey RALKJFHEVRPLDD-UHFFFAOYSA-N
Molecular Weight 202.301 g/mol
SMILES C(#N)C(NCCCC=1C=CC=CC1)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982291