1. Primary Information
| English name: | Cinnamaldehyde |
| CAS No.: | 104-55-2 |
| Molecular formula: | C9H8O |
| Molecular weight: | 132.16 g/mol |
| SMILES: | C1=CC=C(C=C1)C=CC=O |
| Structural class: | |
| Other identifiers: |
3-phenyl-2-propenal 3-phenylprop-2-enaldehyde beta-phenylacrolein cinnamaldehyde cinnamic aldehyde |
2. Suppliers & Pricing
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-3-phenylprop-2-enal
4.2 InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
4.3 InChIKey
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
4.4 Canonical SMILES
C1=CC=C(C=C1)C=CC=O
4.5 Isomeric SMILES
C1=CC=C(C=C1)/C=C/C=O
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
