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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 GVaDf9HPxg0
Name 2-Nitrotoluene
CAS Registry Number 88-72-2
Classification Explosive
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 137.047678467 u
Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChIKey PLAZTCDQAHEYBI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 137.138 g/mol
Nominal Mass 137 u
Quality 935
Retention Index 1062
SMILES C1(=C(C=CC=C1)C)[N+](=O)[O-]
SPLASH splash10-00rf-9100000000-8bd36a559e78a8171d9e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-Methyl-2-nitro-benzene
Technique GC/MS
Wiley ID DD2024_003260