| SpectraBase Spectrum ID |
5ZvmkGVoVbF |
| Name |
[2.2]Paracyclophan-1-en-1-carbaldehyd |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.104465070 u |
| Formula |
C17H14O |
| InChI |
InChI=1S/C17H14O/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-12H,1-2H2/b17-11- |
| InChIKey |
SFZYJJGEFYBJFJ-BOPFTXTBSA-N |
| Molecular Weight |
234.298 g/mol |
| SMILES |
C1=2\C=C/(C=3C=CC(CCC(=CC2)C=C1)=CC3)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915344 |
![[2.2]Paracyclophan-1-en-1-carbaldehyd](/api/spectrum/5ZvmkGVoVbF/structure.png?h=300&w=458 "[2.2]Paracyclophan-1-en-1-carbaldehyd")
