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Benzene, 1-methyl-3,5-dinitro-
SpectraBase Compound ID L8Lc1dbO33c
InChI InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
InChIKey RUIFULUFLANOCI-UHFFFAOYSA-N
Mol Weight 182.13 g/mol
Molecular Formula C7H6N2O4
Exact Mass 182.032757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fpi9Jox5AkX
Name Benzene, 1-methyl-3,5-dinitro-
Alternate Name(s) 1-Methyl-3,5-dinitro-benzene 3,5-Dinitrotoluene 3,5-DNT Toluene, 3,5-dinitro- BRN 2052045 EINECS 210-566-2 HSDB 6463 NSC 87348
CAS Registry Number 618-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N2O4
InChI InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
InChIKey RUIFULUFLANOCI-UHFFFAOYSA-N
Molecular Weight 182.135 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(c1)C
SPLASH splash10-001r-9300000000-cced550538e158afdf91
Source of Spectrum AD-0-169-0
Wiley ID 1177938