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3-Methylphenanthrene-9-carbonitrile
SpectraBase Compound ID H9nVawiPg3o
InChI InChI=1S/C16H11N/c1-11-6-7-12-9-13(10-17)14-4-2-3-5-15(14)16(12)8-11/h2-9H,1H3
InChIKey JOOMLUAYFDKZOC-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C16H11N
Exact Mass 217.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSg68ysvYkx
Name 3-Methylphenanthrene-9-carbonitrile
Appearance Colourless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.089149358 u
Formula C16H11N
InChI InChI=1S/C16H11N/c1-11-6-7-12-9-13(10-17)14-4-2-3-5-15(14)16(12)8-11/h2-9H,1H3
InChIKey JOOMLUAYFDKZOC-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808919
Molecular Weight 217.271 g/mol
Quality 238
Reported Formula C16H11N
SMILES CC=1C=CC=2C(=C3C(C=CC=C3)=C(C2)C#N)C1
SPLASH splash10-014i-0190000000-75ca24b0fe5f0826f0ba
Source of Spectrum ACI-57-SM16-16-1 (DOI: 10.1002/anie.201808919)
Thin-Layer Chromatography 0.66 (P/EtOAc, 10:1)
Wiley ID 1893541