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2-Nitro-1-o-tolylethanone
SpectraBase Compound ID DMVCRvKKhFD
InChI InChI=1S/C9H9NO3/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h2-5H,6H2,1H3
InChIKey NKODEAVBLQJJIZ-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 Ctio6c8IZF
Name 2-Nitro-1-o-tolylethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3
InChI InChI=1S/C9H9NO3/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h2-5H,6H2,1H3
InChIKey NKODEAVBLQJJIZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201700063
Molecular Weight 179.175 g/mol
SMILES C(C[N+](=O)[O-])(c1c(cccc1)C)=O
SPLASH splash10-00l6-5900000000-db8a307fce56fff5cce0
Source of Spectrum CCC-9-2480/SM3-3b
Synonyms 2-Nitro-1-(o-tolyl)ethan-1-one
Wiley ID 1806372