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5',5''-dinitrodibenzodiaza-16-crown-5

View entire compound with spectra: 1 MS (GC)

5',5''-dinitrodibenzodiaza-16-crown-5
SpectraBase Compound ID 3VrnQPFT74B
InChI InChI=1S/C19H22N4O7/c24-22(25)14-2-4-16-18(12-14)29-10-8-28-9-11-30-19-13-15(23(26)27)3-5-17(19)21-7-1-6-20-16/h2-5,12-13,20-21H,1,6-11H2
InChIKey SHUUYURRARLAFS-UHFFFAOYSA-N
Mol Weight 418.41 g/mol
Molecular Formula C19H22N4O7
Exact Mass 418.148849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHFiFLbbh78
Name 5',5''-dinitrodibenzodiaza-16-crown-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N4O7
InChI InChI=1S/C19H22N4O7/c24-22(25)14-2-4-16-18(12-14)29-10-8-28-9-11-30-19-13-15(23(26)27)3-5-17(19)21-7-1-6-20-16/h2-5,12-13,20-21H,1,6-11H2
InChIKey SHUUYURRARLAFS-UHFFFAOYSA-N
Molecular Weight 418.406 g/mol
SMILES N1CCCNc2ccc(N(=O)=O)cc2OCCOCCOc2cc(N(=O)=O)ccc12
SPLASH splash10-016r-9501300000-67ee9994b93436a63b7c
Source of Spectrum F-67-2533-4b
Wiley ID 1686150