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N-hexyl-4-nitroaniline

View entire compound with spectra: 1 MS (GC)

N-hexyl-4-nitroaniline
SpectraBase Compound ID 5kV3Jvuy5X8
InChI InChI=1S/C12H18N2O2/c1-2-3-4-5-10-13-11-6-8-12(9-7-11)14(15)16/h6-9,13H,2-5,10H2,1H3
InChIKey HOCXQPGERXFHNK-UHFFFAOYSA-N
Mol Weight 222.29 g/mol
Molecular Formula C12H18N2O2
Exact Mass 222.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jvNKghIDVI
Name N-hexyl-4-nitroaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O2
InChI InChI=1S/C12H18N2O2/c1-2-3-4-5-10-13-11-6-8-12(9-7-11)14(15)16/h6-9,13H,2-5,10H2,1H3
InChIKey HOCXQPGERXFHNK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201100408
Molecular Weight 222.288 g/mol
SMILES N(c1ccc(cc1)[N+](=O)[O-])CCCCCC
SPLASH splash10-0006-0910000000-225b07c5eb79fc2c93c0
Source of Spectrum CMC-7-159/SM50-49_1
Synonyms N-hexyl-4-nitro-aniline
Wiley ID 1771777