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Benz(A)anthracene-7-carboxaldehyde

View entire compound with spectra: 1 NMR, and 1 FTIR

Benz(A)anthracene-7-carboxaldehyde
SpectraBase Compound ID 2yoRXR1CFox
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
Mol Weight 256.3 g/mol
Molecular Formula C19H12O
Exact Mass 256.088815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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