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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 KMsohrg9Phm
Name meta-nitrotoluene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKey QZYHIOPPLUPUJF-UHFFFAOYSA-N
Instrument Name Kratos MS12
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290080808
Molecular Weight 137.138 g/mol
SMILES c1c(cc(cc1)[N+]([O-])=O)C
SPLASH splash10-00ko-9200000000-fc04f8aa8e431b3975e5
Source of Spectrum RCM-8-609-Fig 2(b)
Wiley ID 1835693