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1-Methyl-6-(trifluoroacetyl)azupyrene
SpectraBase Compound ID FuaRZitcvZX
InChI InChI=1S/C19H11F3O/c1-10-8-11-4-3-7-14-15(18(23)19(20,21)22)9-12-5-2-6-13(10)16(11)17(12)14/h2-9H,1H3
InChIKey NLGJXWZEWMMQLN-UHFFFAOYSA-N
Mol Weight 312.29 g/mol
Molecular Formula C19H11F3O
Exact Mass 312.076199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4IypjcZ9lI
Name 1-Methyl-6-(trifluoroacetyl)azupyrene
Alternate Name(s) 2,2,2-trifluoro-1-(6-methyldicyclopenta[ef,kl]heptalen-1-yl)ethanone
CAS Registry Number 111794-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H11F3O
InChI InChI=1S/C19H11F3O/c1-10-8-11-4-3-7-14-15(18(23)19(20,21)22)9-12-5-2-6-13(10)16(11)17(12)14/h2-9H,1H3
InChIKey NLGJXWZEWMMQLN-UHFFFAOYSA-N
Molecular Weight 312.291 g/mol
SMILES c12c3c4cc(c3cccc1cc(c2ccc4)C(C(F)(F)F)=O)C
SPLASH splash10-03dl-0097000000-d80844d1f2a350f8024c
Source of Spectrum J-53-356-3
Wiley ID 1313441