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2-(3'-Nitrobenzyl)-nitrobenzene
SpectraBase Compound ID 2zr36H1LNqT
InChI InChI=1S/C13H10N2O4/c16-14(17)12-6-3-4-10(9-12)8-11-5-1-2-7-13(11)15(18)19/h1-7,9H,8H2
InChIKey NQNDLLSTEOVLHF-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 3I3Cq232w9u
Name 2-(3'-Nitrobenzyl)-nitrobenzene
Alternate Name(s) 1-Nitro-2-(3-nitrobenzyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O4
InChI InChI=1S/C13H10N2O4/c16-14(17)12-6-3-4-10(9-12)8-11-5-1-2-7-13(11)15(18)19/h1-7,9H,8H2
InChIKey NQNDLLSTEOVLHF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801715
Molecular Weight 258.233 g/mol
SMILES c1(c(cccc1)Cc1cc(ccc1)[N+](=O)[O-])[N+](=O)[O-]
SPLASH splash10-00kf-0960000000-ef51e6b76c293cccb5eb
Source of Spectrum ASC-361-SM4-2e2
Wiley ID 1814079