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Nitrobenzene
SpectraBase Compound ID KCafjjSg6LK
InChI InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey LQNUZADURLCDLV-UHFFFAOYSA-N
Mol Weight 123.11 g/mol
Molecular Formula C6H5NO2
Exact Mass 123.032028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEb2RlbFX5R
Name Benzene, nitro-
Alternate Name(s) Essence of Mirbane Essence of Myrbane Mirbane oil Mononitrobenzene Nitrobenzeen Nitrobenzen Nitrobenzene Nitrobenzol Nitrobenzol, liquid Oil of Mirbane Oil of Myrbane p-Nitrobenzene AI3-01239 CASWELL NO. 600 CCRIS 2841 EINECS 202-716-0 EPA PESTICIDE CHEMICAL CODE 056501 HSDB 104 NCI-C60082 NSC 9573 RCRA WASTE NO. U169 UN1662
CAS Registry Number 98-95-3
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Formula C6H5NO2
InChI InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey LQNUZADURLCDLV-UHFFFAOYSA-N
Molecular Weight 123.111 g/mol
SMILES c1(N(=O)=O)ccccc1
SPLASH splash10-0fb9-9200000000-7e0176beab71c939c841
Source of Spectrum WS-1986-227-0
Wiley ID 1128352