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Benzene, 1-nitro-3-(phenylmethyl)-
SpectraBase Compound ID 5dfSTPwZikN
InChI InChI=1S/C13H11NO2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey CMTUCQNYLNHJRT-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MgZKMDR5Jk
Name Benzene, 1-nitro-3-(phenylmethyl)-
Alternate Name(s) 1-Benzyl-3-nitrobenzene 1-Nitro-3-(phenylmethyl)benzene m-Nitrodiphenylmethane Methane, (m-nitrophenyl)phenyl-
CAS Registry Number 5840-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey CMTUCQNYLNHJRT-UHFFFAOYSA-N
Molecular Weight 213.236 g/mol
SMILES c1ccc(cc1)Cc1cccc(c1)N(=O)=O
SPLASH splash10-02t9-4940000000-d7c8949ebfa62e55e810
Source of Spectrum KB-71-1275-4
Wiley ID 1212666