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(2-Imino-6-(4-nitrophenyl)-4-propyl-3-hexanonene) N,N'-dimer
SpectraBase Compound ID 3NAWpw7W97m
InChI InChI=1S/C30H38N4O6/c1-5-7-25(15-9-23-11-17-27(18-12-23)33(37)38)29(35)21(3)31-32-22(4)30(36)26(8-6-2)16-10-24-13-19-28(20-14-24)34(39)40/h11-14,17-20,25-26H,5-10,15-16H2,1-4H3/b31-21+,32-22+
InChIKey KSWMTFIMJFLAHO-RWRHWQIFSA-N
Mol Weight 550.7 g/mol
Molecular Formula C30H38N4O6
Exact Mass 550.279135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DzrO10OQIj
Name (2-Imino-6-(4-nitrophenyl)-4-propyl-3-hexanonene) N,N'-dimer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38N4O6
InChI InChI=1S/C30H38N4O6/c1-5-7-25(15-9-23-11-17-27(18-12-23)33(37)38)29(35)21(3)31-32-22(4)30(36)26(8-6-2)16-10-24-13-19-28(20-14-24)34(39)40/h11-14,17-20,25-26H,5-10,15-16H2,1-4H3/b31-21+,32-22+
InChIKey KSWMTFIMJFLAHO-RWRHWQIFSA-N
Molecular Weight 550.656 g/mol
SMILES c1(N(=O)=O)ccc(cc1)CCC(C(\C(=N\N=C\(C(=O)C(CCc1ccc(N(=O)=O)cc1)CCC)C)C)=O)CCC
SPLASH splash10-0a4i-9750000000-ceb34e9754c507c70dbb
Source of Spectrum J-63-8593-12
Synonyms (2E)-4-[2-(4-nitrophenyl)ethyl]-2-[(E)-[4-[2-(4-nitrophenyl)ethyl]-3-oxoheptan-2-ylidene]hydrazinylidene]-3-heptanone (2E)-4-[2-(4-nitrophenyl)ethyl]-2-[(E)-[4-[2-(4-nitrophenyl)ethyl]-3-oxoheptan-2-ylidene]hydrazinylidene]heptan-3-one (2E)-2-[(E)-[1-methyl-3-[2-(4-nitrophenyl)ethyl]-2-oxo-hexylidene]hydrazono]-4-[2-(4-nitrophenyl)ethyl]heptan-3-one (2E)-4-[2-(4-nitrophenyl)ethyl]-2-[(E)-[4-[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-heptan-2-ylidene]hydrazinylidene]heptan-3-one
Wiley ID 1405712