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3-Nitrotoluene

View entire compound with spectra: 21 NMR, 9 FTIR, 1 UV-Vis, 12 MS (GC), and 2 Near IR

3-Nitrotoluene
SpectraBase Compound ID DruJ93opRIe
InChI InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKey QZYHIOPPLUPUJF-UHFFFAOYSA-N
Mol Weight 137.14 g/mol
Molecular Formula C7H7NO2
Exact Mass 137.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZ4K3qBVQFu
Name Benzene, 1-methyl-3-nitro-
Alternate Name(s) 1-Methyl-3-nitro-benzene 3-Methylnitrobenzene 3-Nitrotoluene 3-Nitrotoluol m-Methylnitrobenzene m-Nitro toluene M-nitrotoluol meta-nitrotoluol MNT Nitrotoluene, m- Nitrotoluene, m-isomer Toluene, m-nitro- CCRIS 2312 EINECS 202-728-6 HSDB 2937 M-NITROTOLUENE, LIQUID OR SOLID NSC 9578
CAS Registry Number 99-08-1
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Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKey QZYHIOPPLUPUJF-UHFFFAOYSA-N
Molecular Weight 137.138 g/mol
SMILES c1(N(=O)=O)cc(C)ccc1
SPLASH splash10-00ko-9100000000-bad7fb19c23039f14a81
Source of Spectrum HE-1982-0-0
Wiley ID 1137185