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3-(Dimethylamino)-1-(pyridin-3-yl)-prop-2-en-1-one

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

3-(Dimethylamino)-1-(pyridin-3-yl)-prop-2-en-1-one
SpectraBase Compound ID DvUWYK9UsOr
InChI InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3/b7-5+
InChIKey MZLRFUCMBQWLNV-FNORWQNLSA-N
Mol Weight 176.22 g/mol
Molecular Formula C10H12N2O
Exact Mass 176.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KPmG1W2e8Eg
Name 3-(Dimethylamino)-1-(pyridin-3-yl)-prop-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.094963013 u
Formula C10H12N2O
InChI InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3/b7-5+
InChIKey MZLRFUCMBQWLNV-FNORWQNLSA-N
Molecular Weight 176.219 g/mol
SMILES C1=NC=CC=C1C(=O)\C=C\N(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934866