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2-methyl-N-(phenylmethyl)-4-(3-pyridinyl)-3-butyn-2-amine

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

2-methyl-N-(phenylmethyl)-4-(3-pyridinyl)-3-butyn-2-amine
SpectraBase Compound ID 8o4tk6NsXMl
InChI InChI=1S/C17H18N2/c1-17(2,11-10-16-9-6-12-18-13-16)19-14-15-7-4-3-5-8-15/h3-9,12-13,19H,14H2,1-2H3
InChIKey DFSOFYKYCTWECX-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C17H18N2
Exact Mass 250.146999 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6UEvPUgYelR
Name 2-Methyl-N-(phenylmethyl)-4-(3-pyridinyl)-3-butyn-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.146998588 u
Formula C17H18N2
InChI InChI=1S/C17H18N2/c1-17(2,11-10-16-9-6-12-18-13-16)19-14-15-7-4-3-5-8-15/h3-9,12-13,19H,14H2,1-2H3
InChIKey DFSOFYKYCTWECX-UHFFFAOYSA-N
Molecular Weight 250.345 g/mol
SMILES C(NCC=1C=CC=CC1)(C#CC=1C=NC=CC1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901824