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Ethyl 3-phenyl-3-(2",4"-dinitrophenylhydrazono)-2-(hexahydro-1'-azepin-2'-ylidene)propionate
SpectraBase Compound ID PGY2RXhn6y
InChI InChI=1S/C23H25N5O6/c1-2-34-23(29)21(19-11-7-4-8-14-24-19)22(16-9-5-3-6-10-16)26-25-18-13-12-17(27(30)31)15-20(18)28(32)33/h3,5-6,9-10,12-13,15,24-25H,2,4,7-8,11,14H2,1H3/b21-19+,26-22+
InChIKey JFXDYHQZVQMXPN-NTEXLGKGSA-N
Mol Weight 467.48 g/mol
Molecular Formula C23H25N5O6
Exact Mass 467.180484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfYH2wCoB8w
Name Ethyl 3-phenyl-3-(2",4"-dinitrophenylhydrazono)-2-(hexahydro-1'-azepin-2'-ylidene)propionate
Alternate Name(s) ethyl (2E,3E)-3-[(2,4-dinitrophenyl)hydrazono]-2-hexahydro-2H-azepin-2-ylidene-3-phenylpropanoate Ethyl 3-phenyl-3-(2'',4''-dinitrophenylhydrazono)-2-(hexahydro-1'-azepin-2'-ylidene)propionate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N5O6
InChI InChI=1S/C23H25N5O6/c1-2-34-23(29)21(19-11-7-4-8-14-24-19)22(16-9-5-3-6-10-16)26-25-18-13-12-17(27(30)31)15-20(18)28(32)33/h3,5-6,9-10,12-13,15,24-25H,2,4,7-8,11,14H2,1H3/b21-19+,26-22+
InChIKey JFXDYHQZVQMXPN-NTEXLGKGSA-N
Molecular Weight 467.482 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)\N=C\(\C(=C/1NCCCCC1)C(=O)OCC)c1ccccc1
SPLASH splash10-014i-0000900000-4b6006e84c89e21714ae
Source of Spectrum SK-30-3262-5
Wiley ID 881611