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3-(2-nitropropyl)cyclohexane-1,2-dione
SpectraBase Compound ID 2QWRZgIUUSP
InChI InChI=1S/C9H13NO4/c1-6(10(13)14)5-7-3-2-4-8(11)9(7)12/h6-7H,2-5H2,1H3
InChIKey FTLNICYBXITLSD-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C9H13NO4
Exact Mass 199.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqkwvloMqEG
Name 3-(2-nitropropyl)cyclohexane-1,2-dione
Alternate Name(s) 3-(2-nitropropyl)cyclohexane-1,2-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO4
InChI InChI=1S/C9H13NO4/c1-6(10(13)14)5-7-3-2-4-8(11)9(7)12/h6-7H,2-5H2,1H3
InChIKey FTLNICYBXITLSD-UHFFFAOYSA-N
Molecular Weight 199.206 g/mol
SMILES C(N(=O)=O)(CC1C(C(=O)CCC1)=O)C
SPLASH splash10-0a4r-9500000000-d34f1b3d54c3a45db981
Source of Spectrum Y-34-37-20
Wiley ID 1196576