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(Z/E)-Diethyl-2-((5-benzoyl-5H-dibenzo[b,e]azepin-11(6H)-ylidene)methyl)malonate
SpectraBase Compound ID G1bh1TudxTS
InChI InChI=1S/C29H27NO5/c1-3-34-28(32)25(29(33)35-4-2)18-24-22-15-9-8-14-21(22)19-30(26-17-11-10-16-23(24)26)27(31)20-12-6-5-7-13-20/h5-18,25H,3-4,19H2,1-2H3/b24-18-
InChIKey ZARILEGBGOHTGD-MOHJPFBDSA-N
Mol Weight 469.54 g/mol
Molecular Formula C29H27NO5
Exact Mass 469.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2k50AO5q0cz
Name (Z/E)-Diethyl-2-((5-benzoyl-5H-dibenzo[b,e]azepin-11(6H)-ylidene)methyl)malonate
Appearance Yellow oil
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Formula C29H27NO5
InChI InChI=1S/C29H27NO5/c1-3-34-28(32)25(29(33)35-4-2)18-24-22-15-9-8-14-21(22)19-30(26-17-11-10-16-23(24)26)27(31)20-12-6-5-7-13-20/h5-18,25H,3-4,19H2,1-2H3/b24-18-
InChIKey ZARILEGBGOHTGD-MOHJPFBDSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900776
Molecular Weight 469.537 g/mol
Reported Formula C29H27NO5
SMILES c12\C(c3ccccc3N(Cc1cccc2)C(=O)c1ccccc1)=C\C(C(=O)OCC)C(OCC)=O
SPLASH splash10-0a6r-0953100000-2678948b28aed39d4290
Sample Comments Z/E = 1:1
Source of Spectrum ASC-361-SM21-3va
Wiley ID 1838041