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N,N'-di(4-Nitrophenyl)-3,6-dioxaoctanedicarboxamide
SpectraBase Compound ID 1VdDpZKFMIX
InChI InChI=1S/C18H18N4O8/c23-17(19-13-1-5-15(6-2-13)21(25)26)11-29-9-10-30-12-18(24)20-14-3-7-16(8-4-14)22(27)28/h1-8H,9-12H2,(H,19,23)(H,20,24)
InChIKey IFMPOAHYYFNVMQ-UHFFFAOYSA-N
Mol Weight 418.36 g/mol
Molecular Formula C18H18N4O8
Exact Mass 418.112464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5O0ZkqIBqkr
Name N,N'-di(4-Nitrophenyl)-3,6-dioxaoctanedicarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.112463548 u
Formula C18H18N4O8
InChI InChI=1S/C18H18N4O8/c23-17(19-13-1-5-15(6-2-13)21(25)26)11-29-9-10-30-12-18(24)20-14-3-7-16(8-4-14)22(27)28/h1-8H,9-12H2,(H,19,23)(H,20,24)
InChIKey IFMPOAHYYFNVMQ-UHFFFAOYSA-N
Molecular Weight 418.362 g/mol
SMILES C1(=CC=C(C=C1)NC(=O)COCCOCC(NC=1C=CC(=CC1)N(=O)=O)=O)N(=O)=O