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4-(1'-METHYL-1'-NITROETHYL)-TOLUENE
SpectraBase Compound ID FwTHudQHXw2
InChI InChI=1S/C10H13NO2/c1-8-4-6-9(7-5-8)10(2,3)11(12)13/h4-7H,1-3H3
InChIKey WQQVQWIGERPLDZ-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34Cj16XXMjC
Name 1-Methyl-4-(1-methyl-1-nitro-ethyl)benzene
Alternate Name(s) 1-Methyl-4-(2-nitropropan-2-yl)benzene
CAS Registry Number 78176-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-8-4-6-9(7-5-8)10(2,3)11(12)13/h4-7H,1-3H3
InChIKey WQQVQWIGERPLDZ-UHFFFAOYSA-N
Molecular Weight 179.219 g/mol
SMILES C(N(=O)=O)(c1ccc(cc1)C)(C)C
SPLASH splash10-001i-1900000000-03978907083b71cbb759
Source of Spectrum B-38-719-5
Wiley ID 1175274