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2-Nitrotoluene
SpectraBase Compound ID 2kUit6mEagT
InChI InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChIKey PLAZTCDQAHEYBI-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 2WG1we6K6uJ
Name ortho-mononitrotoluene
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 137.047678467 u
Formula C7H7NO2
GC Column HP-Ultra 1 (25 m x 0.2 mm, film thickness 0.11 micrometer)
GC Oven Program Oven temp 200oC
InChI InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChIKey PLAZTCDQAHEYBI-UHFFFAOYSA-N
Inlet Type Split (1:10)
Instrument Name Shimadzu GC 17A- QP5050A MSD
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200700561
Molecular Weight 137.138 g/mol
Quality 115
SMILES C1([N+](=O)[O-])=C(C=CC=C1)C
SPLASH splash10-014i-9000000000-766a9ac9bbc3d217d883
Source of Spectrum SEP-31-1410-o-MNT (DOI: 10.1002/jssc.200700561)
Wiley ID 1907982