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1,3-Dinitropropan-2-ylbenzene
SpectraBase Compound ID DIrTyp5UJG4
InChI InChI=1S/C9H10N2O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey SCTCOOGTIXVHQO-UHFFFAOYSA-N
Mol Weight 210.19 g/mol
Molecular Formula C9H10N2O4
Exact Mass 210.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AInOmDiNOmN
Name 1,3-Dinitropropan-2-ylbenzene
Alternate Name(s) [2-nitro-1-(nitromethyl)ethyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N2O4
InChI InChI=1S/C9H10N2O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey SCTCOOGTIXVHQO-UHFFFAOYSA-N
Molecular Weight 210.189 g/mol
SMILES C(N(=O)=O)C(CN(=O)=O)c1ccccc1
SPLASH splash10-0159-0900000000-a49104d9ca646341781d
Source of Spectrum SO-0-65-7
Wiley ID 873093