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1-(3,4-Dimethoxyphenyl)-3-buten-1-amine

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

1-(3,4-Dimethoxyphenyl)-3-buten-1-amine
SpectraBase Compound ID 4Aup27jTPvc
InChI InChI=1S/C12H17NO2/c1-4-5-10(13)9-6-7-11(14-2)12(8-9)15-3/h4,6-8,10H,1,5,13H2,2-3H3
InChIKey LRVXBKFCTIJVHJ-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H6YE4cUbxkV
Name 1-(3,4-Dimethoxyphenyl)-3-buten-1-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-4-5-10(13)9-6-7-11(14-2)12(8-9)15-3/h4,6-8,10H,1,5,13H2,2-3H3
InChIKey LRVXBKFCTIJVHJ-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C=1C(=CC=C(C1OC)OC)C(N)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960148