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N-[1-(5,7-DINITRO-1,3-BENZOXAZOL-2-YL)-CYCLOHEXYL]-N'-PHENYLUREA
SpectraBase Compound ID IeLFCDOqS39
InChI InChI=1S/C20H19N5O6/c26-19(21-13-7-3-1-4-8-13)23-20(9-5-2-6-10-20)18-22-15-11-14(24(27)28)12-16(25(29)30)17(15)31-18/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,21,23,26)
InChIKey XVUOOFODTOEBAK-UHFFFAOYSA-N
Mol Weight 425.4 g/mol
Molecular Formula C20H19N5O6
Exact Mass 425.133533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFz4hhoTEO5
Name Urea, N-[1-(5,7-dinitro-2-benzoxazolyl)cyclohexyl]-N'-phenyl-
Alternate Name(s) N-[1-(5,7-dinitro-1,3-benzoxazol-2-yl)cyclohexyl]-N'-phenylurea
CAS Registry Number 130156-27-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N5O6
InChI InChI=1S/C20H19N5O6/c26-19(21-13-7-3-1-4-8-13)23-20(9-5-2-6-10-20)18-22-15-11-14(24(27)28)12-16(25(29)30)17(15)31-18/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,21,23,26)
InChIKey XVUOOFODTOEBAK-UHFFFAOYSA-N
Molecular Weight 425.401 g/mol
SMILES N(C(Nc1ccccc1)=O)C1(c2oc3c(N(=O)=O)cc(N(=O)=O)cc3n2)CCCCC1
SPLASH splash10-002f-9101400000-b09f0bfbe308ff120480
Source of Spectrum H-73-970-9
Wiley ID 1379607