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1-(4-Methoxyphenyl)-N,N-dimethyl-2-heptyn-1-amine

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

1-(4-Methoxyphenyl)-N,N-dimethyl-2-heptyn-1-amine
SpectraBase Compound ID LSJQiynD4sg
InChI InChI=1S/C16H23NO/c1-5-6-7-8-9-16(17(2)3)14-10-12-15(18-4)13-11-14/h10-13,16H,5-7H2,1-4H3
InChIKey GZYVIMGUEUHQBI-UHFFFAOYSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IBY1SIingsC
Name 1-(4-Methoxyphenyl)-N,N-dimethyl-2-heptyn-1-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.177964364 u
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-5-6-7-8-9-16(17(2)3)14-10-12-15(18-4)13-11-14/h10-13,16H,5-7H2,1-4H3
InChIKey GZYVIMGUEUHQBI-UHFFFAOYSA-N
Molecular Weight 245.366 g/mol
SMILES C(#CCCCC)C(C=1C=CC(=CC1)OC)N(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922684