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5-Methylphenanthrene-9-carboxaldehyde
SpectraBase Compound ID FaH43ub0ZE8
InChI InChI=1S/C16H12O/c1-11-5-4-8-15-13(10-17)9-12-6-2-3-7-14(12)16(11)15/h2-10H,1H3
InChIKey JAFIAWQWKLPLFQ-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C16H12O
Exact Mass 220.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4C91fJxREu
Name 5-Methylphenanthrene-9-carboxaldehyde
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.088815005 u
Formula C16H12O
InChI InChI=1S/C16H12O/c1-11-5-4-8-15-13(10-17)9-12-6-2-3-7-14(12)16(11)15/h2-10H,1H3
InChIKey JAFIAWQWKLPLFQ-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808919
Molecular Weight 220.271 g/mol
Quality 401
Reported Formula C16H12O
SMILES CC=1C2=C3C(=CC(=C2C=CC1)C=O)C=CC=C3
SPLASH splash10-00du-3970000000-cbbf4dfc965278237384
Source of Spectrum ACI-57-SM27-1f (DOI: 10.1002/anie.201808919)
Thin-Layer Chromatography 0.35 (P/Et2O, 10:1)
Wiley ID 1893546