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6-n-Pentylphenanthrene-1-carboxaldehyde

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

6-n-Pentylphenanthrene-1-carboxaldehyde
SpectraBase Compound ID 4ESU2XPbH4P
InChI InChI=1S/C20H20O/c1-2-3-4-6-15-9-10-16-11-12-18-17(14-21)7-5-8-19(18)20(16)13-15/h5,7-14H,2-4,6H2,1H3
InChIKey OQXDMAAQYJGSQO-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C20H20O
Exact Mass 276.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BNW5H51QjSl
Name 6-N-Pentylphenanthrene-1-carboxaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.151415263 u
Formula C20H20O
InChI InChI=1S/C20H20O/c1-2-3-4-6-15-9-10-16-11-12-18-17(14-21)7-5-8-19(18)20(16)13-15/h5,7-14H,2-4,6H2,1H3
InChIKey OQXDMAAQYJGSQO-UHFFFAOYSA-N
Molecular Weight 276.379 g/mol
SMILES C=1(C=CC=C2C3=CC(=CC=C3C=CC12)CCCCC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849175