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4-Nitroaniline
SpectraBase Compound ID 4e7QMEjuIr3
InChI InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
InChIKey TYMLOMAKGOJONV-UHFFFAOYSA-N
Mol Weight 138.13 g/mol
Molecular Formula C6H6N2O2
Exact Mass 138.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtnAq6DZWIi
Name 4-Nitroaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 138.042927439 u
Formula C6H6N2O2
GC Column DB-5 (30 m x 0.25 mm)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
InChIKey TYMLOMAKGOJONV-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201474
Molecular Weight 138.126 g/mol
Quality 926
SMILES NC1=CC=C([N+](=O)[O-])C=C1
SPLASH splash10-014r-9300000000-a5063bbd586b766bcbb4
Source of Spectrum QE-28-SM28-4-Nitroaniline (DOI: 10.1002/chem.202201474)
Wiley ID 1902473