| SpectraBase Spectrum ID |
L4bkYUrIlI3 |
| Name |
6-Benzo(A)pyrenecarboxaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.088815005 u |
| Formula |
C21H12O |
| InChI |
InChI=1S/C21H12O/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-12H |
| InChIKey |
JYHGZHPGIQQNJP-UHFFFAOYSA-N |
| Molecular Weight |
280.326 g/mol |
| SMILES |
C1=CC2=C(C=C1)C1=C3C(=C2C=O)C=CC2=C3C(C=C1)=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87161 |
