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2-Nitroacetophenone

View entire compound with spectra: 4 NMR, 3 FTIR, and 3 MS (GC)

2-Nitroacetophenone
SpectraBase Compound ID HlRYC9Eadqp
InChI InChI=1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey JTWHVBNYYWFXSI-UHFFFAOYSA-N
Mol Weight 165.15 g/mol
Molecular Formula C8H7NO3
Exact Mass 165.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXaXJeHnhXq
Name 2-Nitro-1-phenylethanone
Alternate Name(s) .alpha.-Nitroacetophenone 2-nitro-1-phenyl-ethanone 2-Nitroacetophenone Acetophenone, 2-nitro- Benzoylnitromethane Ethanone, 2-nitro-1-phenyl- Nitromethyl phenyl ketone NSC 4509
CAS Registry Number 614-21-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO3
InChI InChI=1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey JTWHVBNYYWFXSI-UHFFFAOYSA-N
Molecular Weight 165.148 g/mol
SMILES c1ccc(cc1)C(CN(=O)=O)=O
SPLASH splash10-0a4i-0900000000-47ac30f4364f83154572
Source of Spectrum SO-1978-478-3
Wiley ID 1537088