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(Z)-4-[Phenyl(1-propynyl)amino]-3-penten-2-one
SpectraBase Compound ID LAHWrATOjIL
InChI InChI=1S/C14H15NO/c1-4-10-15(12(2)11-13(3)16)14-8-6-5-7-9-14/h5-9,11H,1-3H3/b12-11-
InChIKey PFSAMHVLGSQXLB-QXMHVHEDSA-N
Mol Weight 213.28 g/mol
Molecular Formula C14H15NO
Exact Mass 213.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LpZYRKLriOi
Name (Z)-4-[Phenyl(1-propynyl)amino]-3-penten-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.115364106 u
Formula C14H15NO
InChI InChI=1S/C14H15NO/c1-4-10-15(12(2)11-13(3)16)14-8-6-5-7-9-14/h5-9,11H,1-3H3/b12-11-
InChIKey PFSAMHVLGSQXLB-QXMHVHEDSA-N
Molecular Weight 213.280 g/mol
SMILES C(\C=C\(N(C#CC)C=1C=CC=CC1)C)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93603