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4-(3'-Nitrobenzyl)-nitrobenzene
SpectraBase Compound ID LAjyRaAtQj9
InChI InChI=1S/C13H10N2O4/c16-14(17)12-6-4-10(5-7-12)8-11-2-1-3-13(9-11)15(18)19/h1-7,9H,8H2
InChIKey HGDRXJCGUHXZFU-UHFFFAOYSA-N
Mol Weight 258.23 g/mol
Molecular Formula C13H10N2O4
Exact Mass 258.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HT8A8LU83xt
Name 4-(3'-Nitrobenzyl)-nitrobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O4
InChI InChI=1S/C13H10N2O4/c16-14(17)12-6-4-10(5-7-12)8-11-2-1-3-13(9-11)15(18)19/h1-7,9H,8H2
InChIKey HGDRXJCGUHXZFU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801715
Molecular Weight 258.233 g/mol
SMILES c1(ccc(cc1)Cc1cc(ccc1)[N+](=O)[O-])[N+](=O)[O-]
SPLASH splash10-066r-0790000000-fff80e60a2c9c1a3512c
Source of Spectrum ASC-361-SM4-2e4
Synonyms 1-Nitro-3-(4-nitrobenzyl)benzene
Wiley ID 1814080