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1-(s-Butyl)-4-nitrobenzene
SpectraBase Compound ID JlosHL1qotn
InChI InChI=1S/C10H13NO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3
InChIKey IQRMCUYGEZOTSV-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqTsIr0jJvF
Name 1-(s-Butyl)-4-nitrobenzene
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3
InChIKey IQRMCUYGEZOTSV-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101571
Molecular Weight 179.219 g/mol
Reported Formula C10H13NO2
SMILES CCC(C)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0udi-2900000000-53b6ad6b4c99b3841f35
Source of Spectrum ACI-60-SM21-48
Wiley ID 1880357