| SpectraBase Spectrum ID |
Lw5kJe00MHc |
| Name |
alpha-[(4-Methylphenyl)methylene]benzeneacetaldehyde; benzeneacetaldehyde, alpha-[(4-methylphenyl)methylene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Raman) |
0.939417 |
![alpha-[(4-Methylphenyl)methylene]benzeneacetaldehyde; benzeneacetaldehyde, alpha-[(4-methylphenyl)methylene]-](/api/spectrum/Lw5kJe00MHc/structure.png?h=300&w=458 "alpha-[(4-Methylphenyl)methylene]benzeneacetaldehyde; benzeneacetaldehyde, alpha-[(4-methylphenyl)methylene]-")
