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(3E,13E)-1,6-dibenzyl-9-keto-1,6-diazacyclopentadeca-3,13-diene-11-carboxylic acid methyl ester
SpectraBase Compound ID Av0Zsa257Yq
InChI InChI=1S/C29H36N2O3/c1-34-29(33)27-16-8-9-18-30(23-25-12-4-2-5-13-25)19-10-11-20-31(21-17-28(32)22-27)24-26-14-6-3-7-15-26/h2-15,27H,16-24H2,1H3/b9-8+,11-10+
InChIKey YYFRGYLVLNBTRI-BNFZFUHLSA-N
Mol Weight 460.6 g/mol
Molecular Formula C29H36N2O3
Exact Mass 460.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aiq2zIRD4mk
Name (3E,13E)-1,6-dibenzyl-9-keto-1,6-diazacyclopentadeca-3,13-diene-11-carboxylic acid methyl ester
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Formula C29H36N2O3
InChI InChI=1S/C29H36N2O3/c1-34-29(33)27-16-8-9-18-30(23-25-12-4-2-5-13-25)19-10-11-20-31(21-17-28(32)22-27)24-26-14-6-3-7-15-26/h2-15,27H,16-24H2,1H3/b9-8+,11-10+
InChIKey YYFRGYLVLNBTRI-BNFZFUHLSA-N
Molecular Weight 460.618 g/mol
SMILES C(C1CC(CCN(Cc2ccccc2)C\C=C\CN(C\C=C\C1)Cc1ccccc1)=O)(=O)OC
SPLASH splash10-014i-0009400000-61206e16aa080639cf6b
Source of Spectrum K1-2001-4202-21
Synonyms (3E,13E)-9-oxo-1,6-bis(phenylmethyl)-1,6-diazacyclopentadeca-3,13-diene-11-carboxylic acid methyl ester Methyl (3E,13E)-1,6-dibenzyl-9-oxo-1,6-diazacyclopentadeca-3,13-diene-11-carboxylate Methyl (3E,13E)-9-oxidanylidene-1,6-bis(phenylmethyl)-1,6-diazacyclopentadeca-3,13-diene-11-carboxylate
Wiley ID 813572