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(all E)-9,13-bis(Demethyl)retinal - 2,4-dinitrophenylhydrazone

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(all E)-9,13-bis(Demethyl)retinal - 2,4-dinitrophenylhydrazone
SpectraBase Compound ID ISj8V938kDG
InChI InChI=1S/C24H28N4O4/c1-19-12-11-16-24(2,3)21(19)13-9-7-5-4-6-8-10-17-25-26-22-15-14-20(27(29)30)18-23(22)28(31)32/h4-10,13-15,17-18,26H,11-12,16H2,1-3H3/b6-4+,7-5+,10-8+,13-9+,25-17+
InChIKey BBCNTGGKGMKLHD-GYPOJGOESA-N
Mol Weight 436.51 g/mol
Molecular Formula C24H28N4O4
Exact Mass 436.211055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EABStOKO0N
Name (all E)-9,13-bis(Demethyl)retinal - 2,4-dinitrophenylhydrazone
Comments Computed using HOSE algorithm
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Exact Mass 436.211055394 u
Formula C24H28N4O4
InChI InChI=1S/C24H28N4O4/c1-19-12-11-16-24(2,3)21(19)13-9-7-5-4-6-8-10-17-25-26-22-15-14-20(27(29)30)18-23(22)28(31)32/h4-10,13-15,17-18,26H,11-12,16H2,1-3H3/b6-4+,7-5+,10-8+,13-9+,25-17+
InChIKey BBCNTGGKGMKLHD-GYPOJGOESA-N
Molecular Weight 436.512 g/mol
SMILES C1(N(=O)=O)=CC(N(=O)=O)=CC=C1N\N=C\C=C\C=C\C=C\C=C\C1=C(CCCC1(C)C)C