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1-(3-Methyl-2-nitrophenyl)ethanone
SpectraBase Compound ID 4AV3teqq2aL
InChI InChI=1S/C9H9NO3/c1-6-4-3-5-8(7(2)11)9(6)10(12)13/h3-5H,1-2H3
InChIKey DUCHUNIEWUJFKM-UHFFFAOYSA-N
Mol Weight 179.17 g/mol
Molecular Formula C9H9NO3
Exact Mass 179.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62f69OU1VHW
Name 1-(3-Methyl-2-nitrophenyl)ethanone
Alternate Name(s) Acetophenone, 3-methyl-2-nitro-
CAS Registry Number 69976-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3
InChI InChI=1S/C9H9NO3/c1-6-4-3-5-8(7(2)11)9(6)10(12)13/h3-5H,1-2H3
InChIKey DUCHUNIEWUJFKM-UHFFFAOYSA-N
Molecular Weight 179.175 g/mol
SMILES Cc1c(N(=O)=O)c(C(=O)C)ccc1
SPLASH splash10-029f-9500000000-a2c7850015f195a1f1e3
Source of Spectrum H-62-291-0
Wiley ID 1175081