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6-(4-Nitro-benzyl)-1,4,8,11-tetraaza-cyclotetradecane-5,7-dione

View entire compound with spectra: 2 NMR

6-(4-Nitro-benzyl)-1,4,8,11-tetraaza-cyclotetradecane-5,7-dione
SpectraBase Compound ID DiCLU1Qo8lq
InChI InChI=1S/C17H25N5O4/c23-16-15(12-13-2-4-14(5-3-13)22(25)26)17(24)21-11-9-19-7-1-6-18-8-10-20-16/h2-5,15,18-19H,1,6-12H2,(H,20,23)(H,21,24)
InChIKey NWNUPQLJQPIAIJ-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C17H25N5O4
Exact Mass 363.190654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkIToe7oLIQ
Name 6-(4-Nitro-benzyl)-1,4,8,11-tetraaza-cyclotetradecane-5,7-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.190654301 u
Formula C17H25N5O4
InChI InChI=1S/C17H25N5O4/c23-16-15(12-13-2-4-14(5-3-13)22(25)26)17(24)21-11-9-19-7-1-6-18-8-10-20-16/h2-5,15,18-19H,1,6-12H2,(H,20,23)(H,21,24)
InChIKey NWNUPQLJQPIAIJ-UHFFFAOYSA-N
Molecular Weight 363.418 g/mol
SMILES N1CCNCCCNCCNC(C(C1=O)Cc1ccc(cc1)N(=O)=O)=O