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1-(4-Nitrophenyl)ethanone
SpectraBase Compound ID 1rlc0ZIcjbN
InChI InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
InChIKey YQYGPGKTNQNXMH-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 Fhkg2eDzKQZ
Name 4-Nitroacetophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 165.042593086 u
Formula C8H7NO3
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
InChIKey YQYGPGKTNQNXMH-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS TQ8050
Ionization Type EI
Literature Reference DOI 10.1002/anie.202116623
Molecular Weight 165.148 g/mol
Quality 846
SMILES C1=C(C=CC(=C1)[N+]([O-])=O)C(=O)C
SPLASH splash10-0udl-9600000000-94d039815c671d1b85fa
Source of Spectrum ACI-61-SM22-Figure S13b (DOI: 10.1002/anie.202116623)
Wiley ID 1897502