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(E)-3-[2-(2-Oxopropylamino)phenyl]prop-2-enal

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

(E)-3-[2-(2-Oxopropylamino)phenyl]prop-2-enal
SpectraBase Compound ID HEfNIVMn4l
InChI InChI=1S/C12H13NO2/c1-10(15)9-13-12-7-3-2-5-11(12)6-4-8-14/h2-8,13H,9H2,1H3/b6-4+
InChIKey KSQOIYKRILQHKJ-GQCTYLIASA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1TFrRyR2i22
Name (E)-3-[2-(2-Oxopropylamino)phenyl]prop-2-enal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.094628661 u
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-10(15)9-13-12-7-3-2-5-11(12)6-4-8-14/h2-8,13H,9H2,1H3/b6-4+
InChIKey KSQOIYKRILQHKJ-GQCTYLIASA-N
Molecular Weight 203.241 g/mol
SMILES C(\C=C\C=1C(=CC=CC1)NCC(C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954044