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4-Nitrotoluene
SpectraBase Compound ID Is0v2TNiaOj
InChI InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey ZPTVNYMJQHSSEA-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 9hLJotJ1N0S
Name 4-Nitrotoluene
CAS Registry Number 99-99-0
Classification Explosive precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 137.047678467 u
Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 137.138 g/mol
Nominal Mass 137 u
Quality 926
Retention Index 1062
SMILES C=1([N+](=O)[O-])C=CC(=CC1)C
SPLASH splash10-000l-9400000000-733cc35addc7527fcd3a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Nitrotoluol p-NR p-Nitrotoluene p-Nitrotoluol 1-Methyl-4-nitrobenzene
Technique GC/MS
Wiley ID DD2024_013791