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4-(4-methyl-3-nitro-phenyl)but-3-en-2-one
SpectraBase Compound ID JgqnVjs5VZc
InChI InChI=1S/C11H11NO3/c1-8-3-5-10(6-4-9(2)13)7-11(8)12(14)15/h3-7H,1-2H3
InChIKey UXYXGGQFBVKPJA-UHFFFAOYSA-N
Mol Weight 205.21 g/mol
Molecular Formula C11H11NO3
Exact Mass 205.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dzqg7yuv1DJ
Name 4-(4-methyl-3-nitro-phenyl)but-3-en-2-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.073893215 u
Formula C11H11NO3
InChI InChI=1S/C11H11NO3/c1-8-3-5-10(6-4-9(2)13)7-11(8)12(14)15/h3-7H,1-2H3
InChIKey UXYXGGQFBVKPJA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.807
Molecular Weight 205.213 g/mol
Quality 75
SMILES C1(C=CC(C)=O)=CC(=C(C=C1)C)[N+]([O-])=O
SPLASH splash10-0006-0910000000-cbed899a2a600713400f
Source of Spectrum ARK-2003-63-3g (DOI: 10.3998/ark.5550190.0004.807)
Wiley ID 1900044