| SpectraBase Spectrum ID |
IVqmCV704FM |
| Name |
Benz(A)anthracene-7-carboxaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.088815005 u |
| Formula |
C19H12O |
| InChI |
InChI=1S/C19H12O/c20-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19/h1-12H |
| InChIKey |
PNJAZYMJSFCLFD-UHFFFAOYSA-N |
| Molecular Weight |
256.304 g/mol |
| SMILES |
C1=CC2=C(C=C1)C=C1C(=C2C=O)C=CC2=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894741 |
