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syn-6-Nitro-5-phenylheptan-2,3-dione
SpectraBase Compound ID G1G4TngfPBR
InChI InChI=1S/C13H15NO4/c1-9(14(17)18)12(8-13(16)10(2)15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3
InChIKey OCBYBCNFWPBYGW-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2FE9peXlhY
Name syn-6-Nitro-5-phenylheptan-2,3-dione
Alternate Name(s) anti-6-Nitro-5-phenylheptan-2,3-dione 6-Nitro-5-phenyl-2,3-heptanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-9(14(17)18)12(8-13(16)10(2)15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3
InChIKey OCBYBCNFWPBYGW-UHFFFAOYSA-N
Molecular Weight 249.266 g/mol
SMILES C(N(=O)=O)(C(CC(C(=O)C)=O)c1ccccc1)C
SPLASH splash10-00kf-6910000000-6c02bbaa3ee4eb94bea7
Source of Spectrum SO-0-246-6
Wiley ID 873395