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3,5-Dinitro-4-(2,6-dimethoxyphenyl)heptane
SpectraBase Compound ID 4b4YQViSexK
InChI InChI=1S/C15H22N2O6/c1-5-10(16(18)19)14(11(6-2)17(20)21)15-12(22-3)8-7-9-13(15)23-4/h7-11,14H,5-6H2,1-4H3
InChIKey ZRRSXOCIWQDWOU-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C15H22N2O6
Exact Mass 326.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm0MDFyBC4G
Name 3,5-Dinitro-4-(2,6-dimethoxyphenyl)heptane
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 326.147786430 u
Formula C15H22N2O6
InChI InChI=1S/C15H22N2O6/c1-5-10(16(18)19)14(11(6-2)17(20)21)15-12(22-3)8-7-9-13(15)23-4/h7-11,14H,5-6H2,1-4H3
InChIKey ZRRSXOCIWQDWOU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 326.349 g/mol
Nominal Mass 326 u
Quality 968
Retention Index 2457
SMILES C(C=1C(=CC=CC1OC)OC)(C([N+](=O)[O-])CC)C([N+](=O)[O-])CC
SPLASH splash10-0f6x-3900000000-6b4a91c19fcc707521a0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(3,5-dinitroheptan-4-yl)-1,3-dimethoxybenzene
Technique GC/MS
Wiley ID DD2024_001164