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alpha-[(4-Methylphenyl)methylene]benzeneacetaldehyde; benzeneacetaldehyde, alpha-[(4-methylphenyl)methylene]-

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alpha-[(4-Methylphenyl)methylene]benzeneacetaldehyde; benzeneacetaldehyde, alpha-[(4-methylphenyl)methylene]-
SpectraBase Compound ID zncjoMUmkA
InChI InChI=1S/C16H14O/c1-13-7-9-14(10-8-13)11-16(12-17)15-5-3-2-4-6-15/h2-12H,1H3/b16-11+
InChIKey FILFLVMANSOYBC-LFIBNONCSA-N
Mol Weight 222.29 g/mol
Molecular Formula C16H14O
Exact Mass 222.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXE4ZsA8bc
Name alpha-[(4-Methylphenyl)methylene]benzeneacetaldehyde; benzeneacetaldehyde, alpha-[(4-methylphenyl)methylene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.104465070 u
Formula C16H14O
InChI InChI=1S/C16H14O/c1-13-7-9-14(10-8-13)11-16(12-17)15-5-3-2-4-6-15/h2-12H,1H3/b16-11+
InChIKey FILFLVMANSOYBC-LFIBNONCSA-N
Molecular Weight 222.287 g/mol
SMILES C1(=CC=CC=C1)\C(=C\C1=CC=C(C=C1)C)C=O