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DOF 4-toluoyl
SpectraBase Compound ID C12AEI8w2IT
InChI InChI=1S/C19H22FNO3/c1-12-5-7-14(8-6-12)19(22)21-13(2)9-15-10-18(24-4)16(20)11-17(15)23-3/h5-8,10-11,13H,9H2,1-4H3,(H,21,22)
InChIKey WHSAIPOJOIGISM-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C19H22FNO3
Exact Mass 331.158372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Iui3JAhaiW
Name DOF 4-toluoyl
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 331.158371732 u
Formula C19H22FNO3
InChI InChI=1S/C19H22FNO3/c1-12-5-7-14(8-6-12)19(22)21-13(2)9-15-10-18(24-4)16(20)11-17(15)23-3/h5-8,10-11,13H,9H2,1-4H3,(H,21,22)
InChIKey WHSAIPOJOIGISM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 331.387 g/mol
Nominal Mass 331 u
Quality 1000
Retention Index 2480
SMILES C1(=C(C=C(C(=C1)OC)F)OC)CC(NC(C=1C=CC(=CC1)C)=O)C
SPLASH splash10-014j-2900000000-55ae4a6aea70d65165ea
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-[1-(4-Fluoro-2,5-dimethoxyphenyl)propan-2-yl]-4-methylbenzamide
Technique GC/MS
Wiley ID DD2024_025017