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2-Methylphenanthrene-9-carboxaldehyde
SpectraBase Compound ID KUgEnxCmzRD
InChI InChI=1S/C16H12O/c1-11-6-7-15-12(8-11)9-13(10-17)14-4-2-3-5-16(14)15/h2-10H,1H3
InChIKey URINNMORORXBIN-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 EsSNXKs3erM
Name 2-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/c1-11-6-7-15-12(8-11)9-13(10-17)14-4-2-3-5-16(14)15/h2-10H,1H3
InChIKey URINNMORORXBIN-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808919
Molecular Weight 220.271 g/mol
Reported Formula C16H12O
SMILES CC1=CC=2C(=C3C(C=CC=C3)=C(C2)C=O)C=C1
SPLASH splash10-00dl-0980000000-c131e3415850f83a57fa
Source of Spectrum ACI-57-SM18-1b (DOI: 10.1002/anie.201808919)
Thin-Layer Chromatography 0.26 (P/Et2O, 10:1)
Wiley ID 1893542