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1,4-Bis(3,5-dinitrobenzoyl)piperazine
SpectraBase Compound ID JiuPzxDB8fi
InChI InChI=1S/C18H14N6O10/c25-17(11-5-13(21(27)28)9-14(6-11)22(29)30)19-1-2-20(4-3-19)18(26)12-7-15(23(31)32)10-16(8-12)24(33)34/h5-10H,1-4H2
InChIKey KMWYWCKPLAQJCD-UHFFFAOYSA-N
Mol Weight 474.34 g/mol
Molecular Formula C18H14N6O10
Exact Mass 474.077141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0odyoiJBmP
Name 1,4-bis(3,5-Dinitrobenzoyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.077140665 u
Formula C18H14N6O10
InChI InChI=1S/C18H14N6O10/c25-17(11-5-13(21(27)28)9-14(6-11)22(29)30)19-1-2-20(4-3-19)18(26)12-7-15(23(31)32)10-16(8-12)24(33)34/h5-10H,1-4H2
InChIKey KMWYWCKPLAQJCD-UHFFFAOYSA-N
Molecular Weight 474.342 g/mol
SMILES C1N(CCN(C1)C(=O)C1=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(C1=CC(=CC(=C1)N(=O)=O)N(=O)=O)=O